UCSF

ZINC38002723

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 18 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) 3.93 7.97 -33.17 2 2 1 16 330.315 3
Lo Low (pH 4.5-6) 3.93 6.73 -38.98 2 2 1 20 330.315 3
Lo Low (pH 4.5-6) 3.93 8.99 -110.52 3 2 2 21 331.323 3

Activity (Go SEA)

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