UCSF

ZINC43304134

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 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) 1.27 3.27 -16.64 2 6 0 71 319.405 4
Lo Low (pH 4.5-6) 1.27 5.14 -45.11 3 6 1 72 320.413 4

Activity (Go SEA)

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