UCSF

ZINC41733811

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 17 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) -1.61 2.81 -62.09 3 6 0 85 232.291 2
Hi High (pH 8-9.5) -1.61 2.51 -37.58 2 6 -1 84 231.283 2
Lo Low (pH 4.5-6) -1.61 2.96 -48.22 4 6 1 87 233.299 2

Activity (Go SEA)

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