UCSF

ZINC22037310

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 17 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) 2.46 6.4 -35.11 1 3 1 25 273.809 4
Hi High (pH 8-9.5) 2.46 4.16 -4.87 0 3 0 24 272.801 4

Activity (Go SEA)

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