UCSF

ZINC00978669

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 22 No

Other Names:

MFCD00771800

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) 5.25 9.66 -5.9 1 2 0 28 353.263 2
Ref Reference (pH 7) 5.25 9.33 -5.89 1 2 0 28 353.263 2
Hi High (pH 8-9.5) 5.07 10.61 -34.33 2 2 1 26 354.271 3

Activity (Go SEA)

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