UCSF

ZINC20467530

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 20 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) 2.45 2.54 -37.98 2 5 -1 87 363.163 3
Lo Low (pH 4.5-6) 2.45 2.52 -8.23 3 5 0 85 364.171 3
Lo Low (pH 4.5-6) 2.45 3.01 -38.22 3 5 0 88 364.171 3

Activity (Go SEA)

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