UCSF

ZINC37794187

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 0.51 6.4 -50.02 2 7 -1 111 273.272 5
Lo Low (pH 4.5-6) 0.51 4.24 -13.01 3 7 0 108 274.28 5

Activity (Go SEA)

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