UCSF

ZINC39952006

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 13 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) 2.84 4.57 -43.39 3 3 1 54 188.291 7
Hi High (pH 8-9.5) 2.84 4.27 -4.49 2 3 0 52 187.283 7

Activity (Go SEA)

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