UCSF

ZINC20734040

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 25 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) 2.35 7.05 -11.65 2 7 0 87 350.325 4
Mid Mid (pH 6-8) 2.35 7.04 -12.72 2 7 0 87 350.325 4
Mid Mid (pH 6-8) 2.35 7.51 -44.37 3 7 1 89 351.333 4

Activity (Go SEA)

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