UCSF

ZINC03941829

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 39 No

Popular Name: Lexiva Lexiva

Find On: PubMed — Wikipedia — Google

CAS Number: 226700-80-7

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) 3.47 5.37 -167.13 3 12 -2 183 583.6 14 ↓
Mid Mid (pH 6-8) 3.47 4.23 -59.21 4 12 -1 181 584.608 14 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.85e-01 g/l DrugBank-approved
PUBCHEM_PATENT_ID WO2000004033A1; WO2000018384A2 IBM Patent Data

Activity (Go SEA)

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