UCSF

ZINC30691722

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 33 No

Popular Name: 14115700 14115700

Find On: PubMed — Wikipedia — Google

CAS Number: 320345-99-1

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) 0.59 14.07 -40.24 1 5 1 56 484.663 10 ↓
Hi High (pH 8-9.5) 0.59 14.79 -56.95 0 5 0 59 483.655 10 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.90e-03 g/l DrugBank-approved

Activity (Go SEA)

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