UCSF

ZINC42779908

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 3.70 8.57 -37.69 1 2 1 8 314.291 7
Mid Mid (pH 6-8) 3.70 9.32 -35.43 1 2 1 8 314.291 7
Lo Low (pH 4.5-6) 3.70 10.79 -118.69 2 2 2 9 315.299 7

Activity (Go SEA)

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