UCSF

ZINC68202099

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2011 35 Yes

Popular Name: NVP-LDE225 NVP-LDE225

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1218778-77-8 , 956697-53-3 , [956697-53-3]

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) 5.89 11.4 -10.59 1 6 0 64 485.506 6 ↓
Mid Mid (pH 6-8) 5.89 11.72 -38.1 2 6 1 65 486.514 6 ↓

Vendor Notes

Note Type Comments Provided By
Indications anticancer KeyOrganics Bioactives
Indications antineoplastic KeyOrganics Bioactives
Target Smoothened Selleck Chemicals

Activity (Go SEA)

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

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