UCSF

ZINC31960750

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 17 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) -0.56 -0.25 -50.63 5 6 1 91 239.299 6
Mid Mid (pH 6-8) -0.56 -0.57 -14.53 4 6 0 89 238.291 6

Activity (Go SEA)

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