UCSF

ZINC48355622

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 24 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) 0.75 4.73 -40.92 2 7 1 67 329.428 6
Hi High (pH 8-9.5) 0.75 2.36 -8.67 1 7 0 66 328.42 6

Activity (Go SEA)

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