UCSF

ZINC37243153

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 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) -1.87 -0.96 -91.03 6 6 2 90 244.339 6
Hi High (pH 8-9.5) -1.69 -2.23 -79.49 5 6 1 97 243.331 6
Hi High (pH 8-9.5) -1.69 -2.2 -84.43 5 6 1 97 243.331 6

Activity (Go SEA)

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