UCSF

ZINC37818180

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -2.33 -3.61 -51.77 5 8 1 115 261.302 8
Hi High (pH 8-9.5) -2.33 -4.02 -15.45 4 8 0 114 260.294 8

Activity (Go SEA)

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