UCSF

ZINC19991223

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 0.30 1.25 -11.61 3 5 0 77 223.276 7
Lo Low (pH 4.5-6) 0.30 1.6 -37.92 4 5 1 78 224.284 7

Activity (Go SEA)

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