UCSF

ZINC63944418

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 26 No

Popular Name: (2S)-5-[(5R)-3,5-dimethyl-2,5-dihydroisoxazol-4-yl]-2-[(2R)-2-methyl-2H-indole-3-carbonyl]-3-oxo-pen (2S)-5-[(5R)-3,5-dimethyl-2,5-di…

Find On: PubMed — Wikipedia — Google

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) 2.72 8.4 -33.79 2 6 0 99 351.406 5 ↓
Lo Low (pH 4.5-6) 2.13 9.11 -41.93 2 6 1 93 352.414 6 ↓

Activity (Go SEA)

Rings

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

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