UCSF

ZINC36357214

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 28 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) 2.72 1.11 -52.96 1 8 -1 108 386.338 4
Ref Reference (pH 7) 2.54 3.86 -48.09 1 8 -1 105 386.338 4
Lo Low (pH 4.5-6) 2.26 3 -13.61 2 8 0 105 387.346 4
Lo Low (pH 4.5-6) 2.08 5.68 -13.15 2 8 0 102 387.346 4

Activity (Go SEA)

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