UCSF

ZINC44676019

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 15 Yes

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) 1.54 5.98 -117.36 5 2 2 44 206.333 5
Mid Mid (pH 6-8) 1.54 4.65 -36.72 4 2 1 40 205.325 5
Mid Mid (pH 6-8) 1.54 5.66 -35.37 4 2 1 43 205.325 5

Activity (Go SEA)

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