UCSF

ZINC05551789

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 20 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) -1.36 -4.2 -13.66 5 9 0 140 281.272 2
Lo Low (pH 4.5-6) -1.36 -3.82 -38.96 6 9 1 141 282.28 2
Lo Low (pH 4.5-6) -1.36 -8.3 -31.62 6 9 1 141 282.28 2

Activity (Go SEA)

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