UCSF

ZINC12634863

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 25 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) 2.97 9.61 -12.17 0 4 0 46 367.499 4
Lo Low (pH 4.5-6) 2.97 9.91 -45.54 1 4 1 47 368.507 4

Activity (Go SEA)

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