UCSF

ZINC59870004

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 30 No

Popular Name: (2S,3aS,6aS)-1-[(2R)-2-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-3,3a,4,5,6,6a-hexahy (2S,3aS,6aS)-1-[(2R)-2-[[(1S)-1-…

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) 2.40 12.02 -71.81 1 7 -1 99 415.51 10 ↓
Mid Mid (pH 6-8) 2.40 12.83 -66.81 2 7 0 103 416.518 10 ↓

Activity (Go SEA)

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