UCSF

ZINC63952595

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 29 No

Popular Name: (6R)-4-amino-3-[2-(5-chloro-2H-indol-3-yl)ethylamino]-6-(4-methoxyphenyl)-1,6-dihydro-1,2,4-triazin- (6R)-4-amino-3-[2-(5-chloro-2H-i…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.47 7.41 -104.77 6 8 2 108 414.897 5 ↓
Hi High (pH 8-9.5) 2.47 6.89 -44.62 5 8 1 106 413.889 6 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.