UCSF

ZINC33829016

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 17 No

Popular Name: 1,2-Benzenediol, 4-(1-(1-methylethyl)-3-piperidinyl)-, hydrobromide; 4-(1-(1-Methylethyl)-3-piperidinyl)-1,2-benzenediol hydrobromide; LS-29999; N-Isopropyl-3-(3',4'-dihydroxyphenyl)piperidine hydrobromide 1,2-Benzenediol, 4-(1-(1-methyle…

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) 2.52 4.34 -38.8 3 3 1 45 236.335 2 ↓

Activity (Go SEA)

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