UCSF

ZINC45020286

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 16 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) 3.40 6.78 -36.48 2 2 1 26 287.221 6
Hi High (pH 8-9.5) 3.40 5.97 -3.02 1 2 0 21 286.213 6

Activity (Go SEA)

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