UCSF

ZINC37870495

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 20 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) 0.61 2.24 -39 4 6 1 87 281.332 7
Hi High (pH 8-9.5) 0.61 1.38 -7.75 3 6 0 83 280.324 7

Activity (Go SEA)

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