UCSF

ZINC22742679

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 30 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) 3.72 6.4 -22.84 2 8 0 110 446.554 9
Hi High (pH 8-9.5) 3.72 6.47 -49.88 1 8 -1 112 445.546 9
Hi High (pH 8-9.5) 3.78 5.58 -92.97 0 8 -2 119 444.538 9
Mid Mid (pH 6-8) 3.78 5.51 -48.97 1 8 -1 117 445.546 9

Activity (Go SEA)

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