UCSF

ZINC42432917

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.76 0.9 -36.38 5 5 1 88 221.284 3
Mid Mid (pH 6-8) -0.76 1.89 -8.37 4 5 0 86 220.276 3

Activity (Go SEA)

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