UCSF

ZINC17062019

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 22 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) -1.89 -3.32 -10.47 2 8 0 83 312.37 4
Mid Mid (pH 6-8) -1.89 -0.8 -47.38 3 8 1 84 313.378 4
Mid Mid (pH 6-8) -1.89 -1.76 -41.27 3 8 1 84 313.378 4

Activity (Go SEA)

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