UCSF

ZINC29044950

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 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) 2.22 2.03 -46.28 1 6 -1 94 351.429 6
Mid Mid (pH 6-8) 2.22 1.95 -16.71 2 6 0 92 352.437 6

Activity (Go SEA)

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