UCSF

ZINC04158318

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 34 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) 6.24 16.83 -26.95 2 6 1 66 456.566 8
Mid Mid (pH 6-8) 6.24 16.88 -17.22 1 6 0 65 455.558 8

Activity (Go SEA)

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