UCSF

ZINC10991652

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2007 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) 0.95 -5.52 -10.9 2 6 0 76 292.364 5
Lo Low (pH 4.5-6) 0.95 -4.95 -41.41 3 6 1 77 293.372 5

Activity (Go SEA)

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