UCSF

ZINC06295219

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 28 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) 4.12 16.01 -40.72 2 4 1 34 417.961 9
Mid Mid (pH 6-8) 4.12 15.49 -15.59 1 4 0 33 416.953 9

Activity (Go SEA)

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