UCSF

ZINC28236132

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 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) 4.64 8.37 -51.57 2 4 1 37 352.93 7
Mid Mid (pH 6-8) 4.64 6 -10.37 1 4 0 36 351.922 7

Activity (Go SEA)

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