UCSF

ZINC02341096

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 31 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) 1.98 3.34 -25.86 4 10 0 149 418.413 6
Hi High (pH 8-9.5) 2.44 1.46 -64.2 3 10 -1 152 417.405 6
Hi High (pH 8-9.5) 2.44 1.58 -58.55 3 10 -1 152 417.405 6
Hi High (pH 8-9.5) 2.44 1.31 -74.44 3 10 -1 152 417.405 6
Hi High (pH 8-9.5) 2.44 1.19 -83.19 3 10 -1 152 417.405 6

Activity (Go SEA)

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