UCSF

ZINC41203289

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 13 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) 0.64 4.85 -81.99 2 3 2 12 187.331 4
Hi High (pH 8-9.5) 0.64 0.09 -1.47 0 3 0 10 185.315 4
Mid Mid (pH 6-8) 0.64 2.57 -33.81 1 3 1 11 186.323 4

Activity (Go SEA)

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