UCSF

ZINC36785821

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 0.25 6.62 -38.63 3 3 1 48 247.362 5
Hi High (pH 8-9.5) 0.25 6.3 -6.72 2 3 0 46 246.354 5

Activity (Go SEA)

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