UCSF

ZINC32808973

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 17 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) 2.34 4.95 -39.2 4 3 1 60 235.351 7
Mid Mid (pH 6-8) 2.34 3.72 -7.43 3 3 0 55 234.343 7

Activity (Go SEA)

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