UCSF

ZINC49745854

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 46 No

Popular Name: (4S)-4-[[4-(4-carbamoyl-1-piperidyl)-6-phenyl-pyridine-2-carbonyl]amino]-5-oxo-5-(4-pentoxycarbonylp (4S)-4-[[4-(4-carbamoyl-1-piperi…

Find On: PubMed — Wikipedia — Google

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) 2.83 10.08 -64.63 3 13 -1 178 635.742 14 ↓
Mid Mid (pH 6-8) 2.83 10.44 -62.53 4 13 0 180 636.75 14 ↓

Activity (Go SEA)

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