UCSF

ZINC53684323

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 32 No

Popular Name: GTP GTP

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CAS Number: 56001-37-7

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -4.53 -4.54 -376.56 5 19 -4 310 519.149 8 ↓
Mid Mid (pH 6-8) -4.53 -5.69 -238.18 6 19 -3 308 520.157 8 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.04e+01 g/l DrugBank-experimental
PUBCHEM_PATENT_ID EP0123511A2; EP0496412B1; EP0646322A1; EP0755685A1; EP0815865A3; EP0870841A1; EP0978569A1; EP1046648A1; EP1051504A2; US4141972; US4297347; US4577012; US4594320; US4594321; US4636465; US4767713; US5250416; US5624686; US5712282; US5719264; US5728398; US5739 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.