UCSF

ZINC06736727

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 28 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) 2.04 -3.54 -52.92 1 7 -1 106 401.464 6
Hi High (pH 8-9.5) 2.04 -2.96 -98.94 0 7 -2 108 400.456 6

Activity (Go SEA)

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