UCSF

ZINC32130605

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 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) 0.81 0.45 -40.83 3 6 1 74 286.348 10
Hi High (pH 8-9.5) 0.81 -0.97 -8.04 2 6 0 69 285.34 10

Activity (Go SEA)

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