UCSF

ZINC37877469

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 19 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) 1.70 2.08 -45.33 3 5 1 55 275.275 5
Hi High (pH 8-9.5) 1.70 -0.45 -7.12 2 5 0 54 274.267 5

Activity (Go SEA)

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