UCSF

ZINC30873013

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2009 30 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) 4.31 7.37 -18.21 2 6 0 85 444.94 8
Mid Mid (pH 6-8) 4.31 7.44 -52.3 1 6 -1 87 443.932 8

Activity (Go SEA)

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