UCSF

ZINC20590277

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 1.99 7.49 -12.43 1 3 0 34 211.334 2
Hi High (pH 8-9.5) 2.72 7.33 -46.52 0 3 -1 31 210.326 2

Activity (Go SEA)

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