UCSF

ZINC20145542

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 16 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) 1.35 4.53 -43.06 2 3 1 33 222.356 6
Mid Mid (pH 6-8) 1.35 5.43 -34.29 2 3 1 29 222.356 6
Mid Mid (pH 6-8) 1.35 6.89 -121.08 3 3 2 34 223.364 6
Lo Low (pH 4.5-6) 1.35 5.87 -81.79 3 3 2 31 223.364 6

Activity (Go SEA)

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