UCSF

ZINC27558531

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 13 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) -1.49 -0.13 -106.4 6 4 2 76 187.287 5
Hi High (pH 8-9.5) -1.49 -0.46 -52.99 5 4 1 74 186.279 5

Activity (Go SEA)

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