UCSF

ZINC37878828

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 4.54 9.97 -43.39 2 1 1 17 345.713 5
Hi High (pH 8-9.5) 4.54 8.76 -2.94 1 1 0 12 344.705 5

Activity (Go SEA)

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