UCSF

ZINC37242961

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) -2.01 0.7 -92.26 5 6 2 81 244.339 4
Hi High (pH 8-9.5) -1.82 0.7 -87.39 4 6 1 88 243.331 4
Hi High (pH 8-9.5) -2.01 0.32 -40.82 4 6 1 80 243.331 4

Activity (Go SEA)

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