UCSF

ZINC41685259

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 0.93 5.02 -42.69 2 5 1 55 273.397 9
Hi High (pH 8-9.5) 0.93 3.54 -5.7 1 5 0 51 272.389 9
Lo Low (pH 4.5-6) 0.93 7 -106.02 3 5 2 57 274.405 9

Activity (Go SEA)

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