UCSF

ZINC19505730

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 14 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) 0.16 3.1 -85.51 5 4 2 62 195.266 4
Hi High (pH 8-9.5) 0.03 0.8 -6.8 3 4 0 62 193.25 3
Hi High (pH 8-9.5) 0.16 0.63 -29.71 4 4 1 61 194.258 4

Activity (Go SEA)

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