UCSF

ZINC03581280

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 11 Yes

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) 0.84 0.28 -6.89 2 2 0 40 152.193 3

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.71e+01 g/l DrugBank-experimental
PUBCHEM_PATENT_ID EP0145010A2; EP0513387A1; EP0638075A1; EP0934937A1; US4593035; US4842942; US5643932; US5677319; US5677322; US6080764; WO1994019335A1; WO1998043649A2 IBM Patent Data

Activity (Go SEA)

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