UCSF

ZINC20864280

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 20 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) 3.17 8.55 -100.03 3 3 2 29 286.504 10
Hi High (pH 8-9.5) 3.17 6.29 -39.04 2 3 1 28 285.496 10
Hi High (pH 8-9.5) 3.17 6.51 -35.18 2 3 1 28 285.496 10

Activity (Go SEA)

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