UCSF

ZINC40747146

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 15 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) 0.92 3.65 -81.56 3 3 2 24 213.369 4
Hi High (pH 8-9.5) 0.92 1.18 -35.57 2 3 1 23 212.361 4
Lo Low (pH 4.5-6) 0.92 6.14 -187.3 4 3 3 25 214.377 4

Activity (Go SEA)

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