UCSF

ZINC22214922

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 16 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) 0.19 0.69 -47.82 3 4 1 49 229.344 3
Lo Low (pH 4.5-6) 0.19 1.98 -131.99 4 4 2 51 230.352 3

Activity (Go SEA)

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