UCSF

ZINC34990797

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 0.81 6.78 -47.53 2 4 1 44 232.307 6
Hi High (pH 8-9.5) 0.81 5.43 -7.03 1 4 0 39 231.299 6
Mid Mid (pH 6-8) 0.81 7.29 -84.72 3 4 2 45 233.315 6

Activity (Go SEA)

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