UCSF

ZINC07612962

Substance Information

In ZINC since Heavy atoms Benign functionality
June 7th, 2006 25 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) -1.47 -1.43 -44.65 1 6 1 58 346.451 8
Mid Mid (pH 6-8) -1.47 1.91 -117.64 2 6 2 59 347.459 8

Activity (Go SEA)

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