UCSF

ZINC36881550

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 2.43 4.02 -11.05 1 5 0 65 340.228 5
Mid Mid (pH 6-8) 2.43 4.1 -42.05 0 5 -1 67 339.22 5

Activity (Go SEA)

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