UCSF

ZINC37246177

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 24 No

Download: MOL2 SDF SMILES Flexibase

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) 4.03 7.72 -19.01 2 8 0 132 371.132 4
Mid Mid (pH 6-8) 4.03 8.71 -46.85 1 8 -1 135 370.124 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.