UCSF

ZINC04252076

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 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) 3.23 11.11 -12.29 3 5 0 73 380.517 6
Mid Mid (pH 6-8) 3.23 11.54 -38.67 4 5 1 74 381.525 6

Activity (Go SEA)

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