UCSF

ZINC60227003

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 16 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) -0.18 1.7 -123.39 6 4 2 74 226.32 7
Mid Mid (pH 6-8) -0.18 1.31 -47.51 5 4 1 72 225.312 7
Mid Mid (pH 6-8) -0.18 1.38 -47.55 5 4 1 72 225.312 7

Activity (Go SEA)

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