UCSF

ZINC04295282

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 22 No

Popular Name: 5-[(8-allyl-3,3-dioxo-3$l^{6},6-dithia-8-azabicyclo[3.3.0]oct-7-ylidene)amino]-5-oxo-pentanoic 5-[(8-allyl-3,3-dioxo-3$l^{6},6-…

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) 0.13 3.06 -64.44 0 7 -1 107 345.422 6 ↓
Ref Reference (pH 7) 0.13 3.89 -64.17 0 7 -1 107 345.422 6 ↓
Lo Low (pH 4.5-6) 0.13 4.86 -71.57 1 7 0 109 346.43 6 ↓

Activity (Go SEA)

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