UCSF

ZINC27934139

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 21 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) 1.14 2.61 -15.3 1 7 0 82 311.363 5
Mid Mid (pH 6-8) 1.14 2.72 -41.69 2 7 1 84 312.371 5
Mid Mid (pH 6-8) 1.14 2.66 -42.39 0 7 -1 85 310.355 5

Activity (Go SEA)

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