UCSF

ZINC45659883

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 2.11 5.47 -31.9 3 3 1 43 266.434 2
Hi High (pH 8-9.5) 2.11 3.05 -5.71 2 3 0 42 265.426 2

Activity (Go SEA)

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