UCSF

ZINC32149605

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 13 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) -0.86 -3.68 -33.69 7 4 1 83 183.279 0
Hi High (pH 8-9.5) -0.86 -5.85 -42.26 7 4 1 83 183.279 0

Activity (Go SEA)

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