UCSF

ZINC41719301

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) 0.49 6.71 -55.31 2 6 0 87 273.292 4
Hi High (pH 8-9.5) 0.49 6.3 -68.97 1 6 -1 85 272.284 4

Activity (Go SEA)

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