UCSF

ZINC42454842

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) -0.29 -0.27 -11.3 3 6 0 91 237.307 6
Mid Mid (pH 6-8) -0.29 1.83 -53.77 4 6 1 92 238.315 6

Activity (Go SEA)

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