UCSF

ZINC36833097

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 23 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) 3.43 2.18 -44.23 1 6 -1 94 483.183 5
Mid Mid (pH 6-8) 3.43 2.59 -41.47 1 6 -1 94 483.183 5
Lo Low (pH 4.5-6) 3.43 2.17 -15.23 2 6 0 92 484.191 5

Activity (Go SEA)

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