UCSF

ZINC01664587

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 26 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) 4.12 2.79 -32.6 1 3 1 24 351.514 6

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.40e-02 g/l DrugBank-experimental

Activity (Go SEA)

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