UCSF

ZINC11535652

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2008 17 No

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) 1.84 0.8 -14.88 0 3 0 39 247.234 1
Lo Low (pH 4.5-6) 1.84 0.91 -34.49 1 3 1 40 248.242 1

Activity (Go SEA)

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