UCSF

ZINC53683410

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 36 No

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) -3.36 -10.89 -142.2 7 18 -2 288 555.33 9

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.24e+00 g/l DrugBank-experimental

Activity (Go SEA)

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