UCSF

ZINC48364151

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 24 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) 4.42 8.28 -40.22 2 4 1 37 352.93 8
Mid Mid (pH 6-8) 4.42 8.41 -39.5 2 4 1 37 352.93 8
Mid Mid (pH 6-8) 4.42 6.1 -8.39 1 4 0 36 351.922 8

Activity (Go SEA)

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