UCSF

ZINC34403052

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 17 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 6.74 -73.38 2 5 -1 97 240.279 3
Lo Low (pH 4.5-6) -0.51 4.76 -36.68 3 5 0 94 241.287 3

Activity (Go SEA)

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