UCSF

ZINC29050726

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 32 No

CAS Number: 835876-32-9

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) 2.84 4.88 -65.92 3 8 -1 136 440.472 5

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.39e-02 g/l DrugBank-experimental

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.