UCSF

ZINC39300988

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 27 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) 2.59 7.87 -19.3 2 7 0 82 432.322 4
Mid Mid (pH 6-8) 2.59 8.31 -34.79 3 7 1 83 433.33 4

Activity (Go SEA)

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