UCSF

ZINC00049996

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 Yes

Popular Name: 2-[(3-cyano-1-pyrindan-2-yl)thio]acetic-acid-benzyl-ester 2-[(3-cyano-1-pyrindan-2-yl)thio…

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) 3.67 2.22 -10.49 0 4 0 62 324.405 6 ↓

Activity (Go SEA)

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