UCSF

ZINC42420140

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 13 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) 0.80 5.95 -48.1 2 3 1 34 180.275 5
Mid Mid (pH 6-8) 0.80 6.3 -93.58 3 3 2 36 181.283 5

Activity (Go SEA)

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