UCSF

ZINC39381404

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 15 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) 2.39 3.25 -11.57 1 3 0 46 261.393 4
Mid Mid (pH 6-8) 2.43 3.78 -12.98 1 3 0 48 261.393 3
Mid Mid (pH 6-8) 2.43 4.02 -52.38 0 3 -1 47 260.385 3

Activity (Go SEA)

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