UCSF

ZINC21664315

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 35 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) 2.89 9.03 -54.46 3 7 1 86 497.616 8
Hi High (pH 8-9.5) 2.89 9.1 -73.76 2 7 0 88 496.608 8
Hi High (pH 8-9.5) 2.89 7.68 -47.76 1 7 -1 84 495.6 8

Activity (Go SEA)

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