UCSF

ZINC44518776

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 16 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) 1.09 8.3 -104.41 2 3 2 26 226.364 3
Mid Mid (pH 6-8) 1.09 6.38 -37.87 1 3 1 25 225.356 3

Activity (Go SEA)

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