UCSF

ZINC12504507

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 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) -0.06 5.35 -55.76 1 7 -1 113 275.277 10

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.05e+01 g/l DrugBank-experimental

Activity (Go SEA)

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