UCSF

ZINC36366152

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 24 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) 2.87 5.41 -10.23 2 5 0 71 339.782 2
Ref Reference (pH 7) 2.68 8.06 -10.5 2 5 0 67 339.782 2
Lo Low (pH 4.5-6) 2.68 8.52 -45.03 3 5 1 68 340.79 2

Activity (Go SEA)

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