UCSF

ZINC53684190

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 45 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) 3.98 13.78 -58.55 1 10 -1 136 646.767 11

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 9.95e-04 g/l DrugBank-experimental

Activity (Go SEA)

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