UCSF

ZINC09235827

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 34 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) 6.19 12.33 -20.11 2 6 0 80 474.63 7
Hi High (pH 8-9.5) 6.19 12.17 -48.01 1 6 -1 78 473.622 7

Activity (Go SEA)

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