UCSF

ZINC33822283

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 12 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) 0.10 0.14 -46.24 2 4 -1 81 175.204 7
Lo Low (pH 4.5-6) 0.10 -1.83 -8.16 3 4 0 78 176.212 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0487986B1 IBM Patent Data

Activity (Go SEA)

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