UCSF

ZINC32604922

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 4.57 8.58 -41.17 2 3 1 50 280.738 2
Mid Mid (pH 6-8) 4.57 8.16 -9.55 1 3 0 49 279.73 2

Activity (Go SEA)

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