UCSF

ZINC01686507

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 19 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) -0.77 1.21 -50.59 3 6 -1 112 283.329 4
Lo Low (pH 4.5-6) -0.77 -0.66 -13.79 4 6 0 109 284.337 4

Activity (Go SEA)

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