UCSF

ZINC35148510

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 15 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) 0.63 3.19 -39.7 3 5 1 74 215.273 5
Hi High (pH 8-9.5) 0.39 1.45 -41.97 2 5 0 78 214.265 5

Activity (Go SEA)

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