UCSF

ZINC19844381

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 18 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) 1.04 1.98 -88.89 4 4 2 54 251.374 3
Mid Mid (pH 6-8) 1.04 3.65 -35.27 3 4 1 53 250.366 3
Mid Mid (pH 6-8) 1.04 3.96 -110.35 4 4 2 54 251.374 3

Activity (Go SEA)

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