UCSF

ZINC05086507

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 24 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) -0.18 -6.76 -13.87 3 10 0 126 334.336 2
Lo Low (pH 4.5-6) -0.18 -6.62 -36.41 4 10 1 127 335.344 2

Activity (Go SEA)

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