UCSF

ZINC01532730

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 22 Yes

Popular Name: Bestatin Bestatin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 100992-60-7 , 58970-76-6

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) -1.13 4.5 -72.82 5 6 0 117 308.378 8 ↓
Hi High (pH 8-9.5) -1.13 5.03 -85.78 4 6 -1 120 307.37 8 ↓
Mid Mid (pH 6-8) -1.13 4.18 -51.76 4 6 -1 115 307.37 8 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.29e+00 g/l DrugBank-experimental
M.P 216-218 °C Indofine
SOLUBILITY H2O: 25 mg/mL, clear, colorless Indofine

Activity (Go SEA)

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