UCSF

ZINC00057302

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

Popular Name: Sulfamoxole Sulfamoxole

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CAS Number: 729-99-7

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) 0.81 -0.84 -18.84 3 6 0 101 267.31 2 ↓
Mid Mid (pH 6-8) 0.64 -1.63 -55.15 2 6 -1 100 266.302 3 ↓
Lo Low (pH 4.5-6) 0.81 -0.98 -62.25 4 6 1 103 268.318 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.67e-01 g/l DrugBank-approved

Activity (Go SEA)

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

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