UCSF

ZINC03830223

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 21 No

CAS Numbers: 16895-59-3 , 521-17-5

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) 3.43 5.35 -3.6 2 2 0 40 290.447 0

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.50e-02 g/l DrugBank-Street Drugs

Activity (Go SEA)

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