UCSF

ZINC43444238

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 13 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.50 2.97 -111.18 4 3 2 41 188.315 6
Mid Mid (pH 6-8) 0.50 0.93 -33.97 3 3 1 40 187.307 6
Mid Mid (pH 6-8) 0.50 1.73 -33.74 3 3 1 37 187.307 6

Activity (Go SEA)

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