UCSF

ZINC37810228

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 0.96 6.1 -50.02 3 6 1 94 266.321 5
Hi High (pH 8-9.5) 0.96 5.77 -13.72 2 6 0 92 265.313 5

Activity (Go SEA)

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