UCSF

ZINC58938316

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2011 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) 1.52 3.99 -40.78 2 4 1 51 273.353 6
Hi High (pH 8-9.5) 1.52 1.68 -9.97 1 4 0 49 272.345 6

Activity (Go SEA)

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