UCSF

ZINC04157718

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 29 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) 4.93 2.56 -16.39 1 5 0 55 385.467 7
Mid Mid (pH 6-8) 4.93 2.7 -29.51 2 5 1 56 386.475 7

Activity (Go SEA)

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