UCSF

ZINC06697773

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 23 Yes

Popular Name: 8a(1H)-isoquinolinecarboxylic acid, octahydro-6-hydroxy-2-(phenylmethyl)-, ethyl ester, hydrochloride 8a(1H)-isoquinolinecarboxylic ac…

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) 2.58 0.12 -47 2 4 1 50 318.437 5 ↓

Activity (Go SEA)

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