UCSF

ZINC02004304

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 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) 0.70 -3.34 -46 2 4 1 44 265.377 0

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 0.36 Bitter DB

Activity (Go SEA)

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