UCSF

ZINC58391881

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2011 28 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) 4.32 8.17 -13.48 2 6 0 83 443.297 3
Hi High (pH 8-9.5) 4.32 9.02 -55.65 1 6 -1 85 442.289 3

Activity (Go SEA)

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