UCSF

ZINC34841888

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 22 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) 0.34 4.19 -13.09 4 5 0 84 292.342 4
Mid Mid (pH 6-8) 0.34 4.53 -52.72 5 5 1 85 293.35 4

Activity (Go SEA)

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