UCSF

ZINC48250961

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 23 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) 1.96 6.89 -39.21 1 6 1 66 320.413 7
Hi High (pH 8-9.5) 1.96 4.67 -9.62 0 6 0 65 319.405 7

Activity (Go SEA)

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