UCSF

ZINC19833486

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 13 No

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) -0.73 3.13 -52.68 2 4 1 61 200.287 3
Mid Mid (pH 6-8) -0.73 1.89 -16.39 1 4 0 56 199.279 3

Activity (Go SEA)

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