UCSF

ZINC19795341

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 17 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 3.9 -38.27 1 5 0 61 235.287 4
Lo Low (pH 4.5-6) -1.27 4.34 -72.98 2 5 1 62 236.295 4

Activity (Go SEA)

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