UCSF

ZINC20612164

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 31 Yes

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) 2.75 6.94 -28.83 3 8 0 107 418.453 3
Hi High (pH 8-9.5) 2.75 4.99 -44.33 2 8 -1 106 417.445 3
Hi High (pH 8-9.5) 2.75 4.98 -44.97 2 8 -1 106 417.445 3

Activity (Go SEA)

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