UCSF

ZINC42768069

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 2.96 6.76 -36.06 2 3 1 20 276.448 6
Mid Mid (pH 6-8) 2.96 5.37 -2.45 1 3 0 19 275.44 6
Lo Low (pH 4.5-6) 2.96 9.24 -115.56 3 3 2 21 277.456 6

Activity (Go SEA)

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