UCSF

ZINC44115727

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 11 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) 0.25 -0.9 -3.27 1 3 0 33 159.229 2
Mid Mid (pH 6-8) 0.25 1.02 -31.72 2 3 1 34 160.237 2

Activity (Go SEA)

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