UCSF

ZINC35570126

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 32 Yes

Other Names:

MFCD08141803

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) 4.67 11.88 -51.85 3 4 1 57 427.568 7
Hi High (pH 8-9.5) 4.67 10.47 -11.86 2 4 0 56 426.56 7

Vendor Notes

Note Type Comments Provided By
Indications overactive bladder KeyOrganics Bioactives
Indications urinary incontinence KeyOrganics Bioactives

Activity (Go SEA)

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

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