UCSF

ZINC37818714

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) -1.39 -2.1 -40.39 5 7 1 117 218.233 6
Hi High (pH 8-9.5) -1.39 -2.45 -13.41 4 7 0 116 217.225 6

Activity (Go SEA)

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