UCSF

ZINC20389811

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 14 Yes

Popular Name: 3-CYANO-6-METHYLCOUMARIN 3-CYANO-6-METHYLCOUMARIN

Find On: PubMed — Wikipedia — Google

CAS Number: 25816-61-9

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) 2.12 7 -13.35 0 3 0 54 185.182 0 ↓

Activity (Go SEA)

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