UCSF

ZINC22037795

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 20 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) 1.58 5.27 -116.67 4 4 2 51 280.412 8
Hi High (pH 8-9.5) 1.58 1.65 -5.5 2 4 0 45 278.396 8
Mid Mid (pH 6-8) 1.58 4 -34.49 3 4 1 46 279.404 8

Activity (Go SEA)

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