UCSF

ZINC30908717

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 22 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) 2.56 9.7 -46.3 2 3 1 34 292.406 3
Hi High (pH 8-9.5) 2.56 8.3 -8.94 1 3 0 30 291.398 3

Activity (Go SEA)

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