UCSF

ZINC37040207

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) -0.18 -0.58 -53.7 5 6 1 95 296.372 5
Mid Mid (pH 6-8) -0.18 -1.78 -19.87 4 6 0 90 295.364 5

Activity (Go SEA)

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