UCSF

ZINC20259920

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 16 Yes

Popular Name: Dimecrotic Acid Dimecrotic Acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 54283-65-7 , 7706-67-4 , N/A

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) 1.83 4.75 -54.18 0 4 -1 59 221.232 4 ↓
Lo Low (pH 4.5-6) 1.83 3.65 -9.32 1 4 0 56 222.24 4 ↓

Activity (Go SEA)

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