UCSF

ZINC39283548

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 16 No

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) -2.75 -3.58 -50.97 6 6 0 128 227.216 4
Hi High (pH 8-9.5) -2.75 -3.78 -57.8 5 6 -1 127 226.208 4

Activity (Go SEA)

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