UCSF

ZINC40831297

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 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) 3.66 7.78 -96.19 4 4 2 50 297.487 6
Hi High (pH 8-9.5) 3.85 6.2 -45.98 3 4 1 56 296.479 6

Activity (Go SEA)

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