UCSF

ZINC20070240

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 15 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) 3.32 4.91 -3.87 1 1 0 12 286.066 4
Lo Low (pH 4.5-6) 3.32 6.33 -43.39 2 1 1 17 287.074 4

Activity (Go SEA)

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