UCSF

ZINC48488568

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2010 18 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) 1.58 -1.47 -35.6 4 5 1 79 268.724 5
Mid Mid (pH 6-8) 1.58 -2.9 -9.86 3 5 0 77 267.716 5

Activity (Go SEA)

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