UCSF

ZINC22695131

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 23 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) 1.54 7.1 -46.99 2 5 1 54 340.806 4
Hi High (pH 8-9.5) 1.54 4.88 -13.61 1 5 0 53 339.798 4

Activity (Go SEA)

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