UCSF

ZINC37824862

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) 0.73 2.4 -41.99 4 4 1 68 229.344 6
Hi High (pH 8-9.5) 0.73 1.17 -7.65 3 4 0 67 228.336 6

Activity (Go SEA)

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