UCSF

ZINC98492891

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2015 35 Yes

CAS Number: 74863-84-6

Other Names:

MFCD23102419

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.76 5.05 -68.34 8 11 0 189 510.661 11
Mid Mid (pH 6-8) -0.76 4.64 -62.6 9 11 1 187 511.669 11

Vendor Notes

Note Type Comments Provided By
Indications anticoagulant KeyOrganics Bioactives

Activity (Go SEA)

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

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