UCSF

ZINC48418687

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 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) 3.83 9.38 -42.14 2 5 1 60 319.425 6
Hi High (pH 8-9.5) 3.83 7.92 -15.14 1 5 0 59 318.417 6

Activity (Go SEA)

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