UCSF

ZINC37997032

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 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) 2.77 6.4 -38.64 2 3 1 35 238.351 9
Hi High (pH 8-9.5) 2.77 4.97 -5.49 1 3 0 30 237.343 9

Activity (Go SEA)

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