UCSF

ZINC36996955

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 3.15 8.29 -37.77 2 2 1 20 273.444 4
Lo Low (pH 4.5-6) 3.15 10.55 -110.05 3 2 2 21 274.452 4

Activity (Go SEA)

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