UCSF

ZINC39037871

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 18 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) 1.66 6.19 -36.67 3 3 1 46 247.362 4
Hi High (pH 8-9.5) 1.66 4.8 -5.87 2 3 0 41 246.354 4

Activity (Go SEA)

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