UCSF

ZINC39024292

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2010 27 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) 1.65 8.36 -43.13 4 5 1 77 366.485 6
Mid Mid (pH 6-8) 1.65 8.05 -16.75 3 5 0 75 365.477 6

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.19e-02 g/l DrugBank-experimental

Activity (Go SEA)

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