UCSF

ZINC43410882

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 2.66 6.1 -9.45 2 4 0 51 305.447 3
Mid Mid (pH 6-8) 2.66 6.52 -32.84 3 4 1 53 306.455 3

Activity (Go SEA)

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