UCSF

ZINC48961846

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 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) 2.20 3.09 -35.84 0 6 -1 84 315.758 4
Mid Mid (pH 6-8) 2.20 2.78 -10.33 1 6 0 81 316.766 4

Activity (Go SEA)

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