UCSF

ZINC03874327

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 22 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) 0.69 -3.73 -51.6 3 7 -1 118 315.39 10

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.42e+00 g/l DrugBank-experimental

Activity (Go SEA)

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