UCSF

ZINC22911024

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 1.75 3.32 -37.94 2 3 1 29 235.351 3
Hi High (pH 8-9.5) 1.75 1.99 -4.1 1 3 0 24 234.343 3
Lo Low (pH 4.5-6) 1.75 5.43 -110.13 3 3 2 30 236.359 3

Activity (Go SEA)

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