UCSF

ZINC32908425

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 30 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) 1.46 7.15 -20.96 2 8 0 110 419.466 5
Mid Mid (pH 6-8) 1.92 5.37 -56.11 1 8 -1 113 418.458 5

Activity (Go SEA)

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