UCSF

ZINC36132436

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 Yes

Popular Name: (1S,2S)-2-[[2-(cyclopropylamino)-2-oxo-ethyl]-methyl-carbamoyl]cyclohexanecarboxylic (1S,2S)-2-[[2-(cyclopropylamino)…

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) 1.04 6.57 -70.76 1 6 -1 90 281.332 5 ↓
Lo Low (pH 4.5-6) 1.04 4.53 -19.15 2 6 0 87 282.34 5 ↓

Activity (Go SEA)

Rings

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