UCSF

ZINC17325269

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2008 25 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) 0.41 6.45 -21.93 1 9 0 117 358.322 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0151189A1; US4757139; US5013828 IBM Patent Data

Activity (Go SEA)

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