UCSF

ZINC38219021

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 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) 1.43 3.13 -4.96 4 4 0 71 246.31 3
Lo Low (pH 4.5-6) 1.43 2.97 -44.55 5 4 1 72 247.318 3

Activity (Go SEA)

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