UCSF

ZINC36867699

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) -1.77 0.3 -45.17 3 8 1 89 269.329 4
Lo Low (pH 4.5-6) -1.77 2.56 -126.31 4 8 2 90 270.337 4
Lo Low (pH 4.5-6) -1.77 1.22 -43.66 3 8 1 85 269.329 4

Activity (Go SEA)

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