UCSF

ZINC36360800

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 29 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) 3.05 1.42 -51 1 8 -1 108 404.328 4
Ref Reference (pH 7) 2.87 4.16 -46.37 1 8 -1 105 404.328 4
Lo Low (pH 4.5-6) 2.60 3.31 -11.42 2 8 0 105 405.336 4
Lo Low (pH 4.5-6) 2.41 5.98 -11.17 2 8 0 102 405.336 4

Activity (Go SEA)

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