UCSF

ZINC35651863

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 21 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) -1.87 -1.89 -50.72 1 9 -1 119 317.347 6
Lo Low (pH 4.5-6) -1.87 0.42 -63.68 2 9 0 120 318.355 6

Activity (Go SEA)

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