UCSF

ZINC36777074

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) 1.15 6.19 -91.62 4 3 2 45 243.354 5
Hi High (pH 8-9.5) 1.15 5.79 -37.29 3 3 1 43 242.346 5
Hi High (pH 8-9.5) 1.15 3.87 -46.08 3 3 1 44 242.346 5

Activity (Go SEA)

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