UCSF

ZINC32837476

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 24 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) 2.44 7.96 -48 2 5 1 50 325.436 4
Mid Mid (pH 6-8) 2.44 5.65 -10.99 1 5 0 48 324.428 4

Activity (Go SEA)

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