UCSF

ZINC36677891

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 1.60 6.91 -40.88 3 4 1 43 294.444 5
Mid Mid (pH 6-8) 1.60 4.97 -9.67 2 4 0 42 293.436 5

Activity (Go SEA)

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