UCSF

ZINC45650237

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 2.62 7.15 -31.32 2 3 1 20 290.475 8
Hi High (pH 8-9.5) 2.62 4.79 -2.21 1 3 0 19 289.467 8
Hi High (pH 8-9.5) 2.62 5.94 -40.25 2 3 1 23 290.475 8
Mid Mid (pH 6-8) 2.62 9.47 -81.78 3 3 2 21 291.483 8

Activity (Go SEA)

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