UCSF

ZINC38482187

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 13 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) -2.87 -3.3 -124.16 7 5 2 85 190.291 8
Hi High (pH 8-9.5) -2.87 -3.67 -45.14 6 5 1 84 189.283 8
Mid Mid (pH 6-8) -2.87 -3.29 -104.35 7 5 2 85 190.291 8
Lo Low (pH 4.5-6) -2.87 -1.96 -221.8 8 5 3 90 191.299 8

Activity (Go SEA)

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