UCSF

ZINC15830188

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2008 28 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) 2.40 4.38 -37.02 4 6 1 79 382.484 3
Hi High (pH 8-9.5) 2.40 4 -53.56 3 6 0 85 381.476 3
Hi High (pH 8-9.5) 2.40 4.8 -73.55 2 6 -1 88 380.468 3

Activity (Go SEA)

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