UCSF

ZINC37202226

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 No

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) 3.79 9.26 -3.77 1 1 0 12 269.413 4
Lo Low (pH 4.5-6) 3.79 10.47 -44.65 2 1 1 17 270.421 4

Activity (Go SEA)

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