UCSF

ZINC20714496

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 22 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) 0.90 2.72 -10.78 2 6 0 82 292.298 1
Ref Reference (pH 7) 0.71 5.33 -10.86 2 6 0 78 292.298 1
Mid Mid (pH 6-8) 0.71 5.34 -11.61 2 6 0 78 292.298 1
Mid Mid (pH 6-8) 0.90 2.71 -12.68 2 6 0 82 292.298 1

Activity (Go SEA)

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