UCSF

ZINC06898279

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2006 26 No

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) 2.79 -3.24 -25.73 2 6 0 84 347.374 4
Ref Reference (pH 7) 3.24 6.91 -38.62 1 6 -1 90 346.366 4
Lo Low (pH 4.5-6) 3.24 8.2 -14.56 2 6 0 92 347.374 4

Activity (Go SEA)

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