UCSF

ZINC34666260

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 21 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) 4.75 8.95 -43.74 2 3 1 35 286.395 7
Hi High (pH 8-9.5) 4.75 7.78 -3.8 1 3 0 30 285.387 7

Activity (Go SEA)

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