UCSF

ZINC09007727

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 36 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) 3.51 10.42 -57.8 0 8 -1 109 485.516 9
Mid Mid (pH 6-8) 2.92 10.75 -16.98 0 8 0 103 486.524 9
Mid Mid (pH 6-8) 3.95 10.09 -15.19 1 8 0 106 486.524 8
Lo Low (pH 4.5-6) 3.95 10.37 -42.88 2 8 1 107 487.532 8
Lo Low (pH 4.5-6) 2.92 11.03 -47.38 1 8 1 104 487.532 9

Activity (Go SEA)

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