UCSF

ZINC36189899

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 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) -0.12 3.47 -85.59 3 5 2 45 270.421 3
Hi High (pH 8-9.5) -0.12 0.08 -7.55 1 5 0 39 268.405 3
Mid Mid (pH 6-8) -0.12 2.27 -34.22 2 5 1 40 269.413 3

Activity (Go SEA)

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