UCSF

ZINC43705049

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 17 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) -1.97 -2.6 -56.95 1 7 -1 107 264.279 2
Mid Mid (pH 6-8) -1.97 -0.48 -62.17 2 7 0 108 265.287 2

Activity (Go SEA)

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