UCSF

ZINC42778781

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 0.35 5.94 -40.65 3 3 1 48 275.294 6
Hi High (pH 8-9.5) 0.35 5.59 -8.36 2 3 0 46 274.286 6

Activity (Go SEA)

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