UCSF

ZINC04102247

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 24 Yes

CAS Numbers: 468-44-0 , [468-44-0]

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) 0.83 -0.26 -56.57 1 5 -1 86 331.388 1

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.19e+00 g/l DrugBank-experimental
UniProt Database Links G2OX7_ARATH; G2OX8_ARATH; G3O21_WHEAT; G3O22_WHEAT; G3O23_WHEAT; G3OX1_ARATH; G3OX2_ARATH; G3OX3_ARATH; G3OX4_ARATH; G3OX_PEA; GAMT1_ARATH; GAMT2_ARATH; GID1A_ARATH; GID1B_ARATH; GID1C_ARATH; GID1_ORYSJ; H2B1_SOLLC; H2B2_SOLLC; H2B3_SOLLC ChEBI
UniProt Database Links GAMT1_ARATH; GAMT2_ARATH ChEBI

Activity (Go SEA)

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