UCSF

ZINC37308297

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 28 Yes

Popular Name: (1S,4R,5S,6R)-6-[[3-ethoxycarbonyl-4-(2-furyl)-2-thienyl]carbamoyl]bicyclo[2.2.1]hept-2-ene-5-carbox (1S,4R,5S,6R)-6-[[3-ethoxycarbon…

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) 3.14 9.96 -54.08 1 7 -1 109 400.432 7 ↓
Lo Low (pH 4.5-6) 3.14 8.18 -16.7 2 7 0 106 401.44 7 ↓

Activity (Go SEA)

Rings

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