UCSF

ZINC00000021

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2005 21 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) 3.85 4.02 -40.52 1 3 1 30 288.411 6

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.62e-02 g/l DrugBank-experimental

Activity (Go SEA)

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