UCSF

ZINC47218994

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 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) 3.18 8.56 -48.53 2 3 1 43 270.78 7
Hi High (pH 8-9.5) 3.18 7.2 -4.8 1 3 0 38 269.772 7

Activity (Go SEA)

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