UCSF

ZINC65498651

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 26 No

Popular Name: 2-[(3S,5S)-3-cyclopropyl-5-[(1R)-2-[(4R)-4H-imidazol-4-yl]-1-pyrrol-1-yl-ethyl]-1,2,4-triazolidin-1- 2-[(3S,5S)-3-cyclopropyl-5-[(1R)…

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) 1.99 9.49 -31.87 4 7 1 75 350.45 6 ↓
Mid Mid (pH 6-8) 1.99 9.52 -8.77 3 7 0 74 349.442 6 ↓
Lo Low (pH 4.5-6) 1.99 9.38 -83.49 5 7 2 76 351.458 6 ↓

Activity (Go SEA)

Rings

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

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