UCSF

ZINC16052549

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2008 29 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) 5.02 14.15 -15.82 3 7 0 102 381.443 6

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.11e-02 g/l DrugBank-experimental

Activity (Go SEA)

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