UCSF

ZINC33662609

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 20 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) 3.22 9.32 -47.61 0 4 -1 62 268.292 5
Ref Reference (pH 7) 3.22 8.53 -47.94 0 4 -1 62 268.292 5
Lo Low (pH 4.5-6) 3.22 8.75 -66.1 1 4 0 63 269.3 5
Lo Low (pH 4.5-6) 3.22 8.96 -67.42 1 4 0 63 269.3 5

Activity (Go SEA)

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