UCSF

ZINC04140104

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 28 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) 4.25 -1.89 -14.63 0 5 0 64 381.472 5
Mid Mid (pH 6-8) 4.25 -1.97 -11.74 0 5 0 64 381.472 5
Mid Mid (pH 6-8) 4.42 -3.34 -10.44 0 5 0 64 381.472 5

Activity (Go SEA)

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