UCSF

ZINC32517974

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2009 16 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) 2.55 5.48 -11.61 1 3 0 38 228.173 3
Mid Mid (pH 6-8) 2.55 5.92 -40.22 2 3 1 39 229.181 3

Activity (Go SEA)

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