UCSF

ZINC59867852

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 24 No

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) 6.21 13.63 -121.83 4 2 2 33 332.576 15
Mid Mid (pH 6-8) 6.21 12.28 -38.97 3 2 1 29 331.568 15
Mid Mid (pH 6-8) 6.21 12.35 -39.97 3 2 1 29 331.568 15

Activity (Go SEA)

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