UCSF

ZINC21642777

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 26 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 2.18 -81.38 4 8 2 74 370.542 9
Hi High (pH 8-9.5) 0.12 -0.19 -45.47 3 8 1 72 369.534 9
Hi High (pH 8-9.5) 0.12 -2.3 -12.57 2 8 0 71 368.526 9
Mid Mid (pH 6-8) 0.12 2.27 -77.4 4 8 2 74 370.542 9
Mid Mid (pH 6-8) 0.12 -0.02 -41.32 3 8 1 72 369.534 9

Activity (Go SEA)

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