UCSF

ZINC39916186

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.52 -0.44 -10.46 2 6 0 65 439.297 10
Mid Mid (pH 6-8) 1.52 1.86 -39.78 3 6 1 67 440.305 10
Mid Mid (pH 6-8) 1.52 1.91 -35.99 3 6 1 67 440.305 10

Activity (Go SEA)

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