UCSF

ZINC41719437

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 20 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) 1.57 5.66 -54.19 3 6 0 95 273.292 5
Hi High (pH 8-9.5) 1.57 5.24 -67.71 2 6 -1 94 272.284 5

Activity (Go SEA)

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