UCSF

ZINC41720929

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) 3.30 8.77 -85.55 3 3 2 31 271.408 4
Hi High (pH 8-9.5) 3.30 8.35 -42.89 2 3 1 29 270.4 4
Hi High (pH 8-9.5) 3.30 6.71 -26.48 2 3 1 29 270.4 4

Activity (Go SEA)

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