UCSF

ZINC34374492

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 29 Yes

Popular Name: (8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[3-(1H-pyrazol-5-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine (8S)-N-(1H-benzimidazol-2-ylmeth…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.61 7.67 -15.21 2 6 0 73 386.503 7 ↓
Mid Mid (pH 6-8) 3.61 7.76 -15.64 2 6 0 73 386.503 7 ↓
Mid Mid (pH 6-8) 3.61 8.48 -30.19 3 6 1 75 387.511 7 ↓
Mid Mid (pH 6-8) 3.61 8.38 -33.28 3 6 1 75 387.511 7 ↓
Lo Low (pH 4.5-6) 3.61 9.28 -88.93 4 6 2 76 388.519 7 ↓
Lo Low (pH 4.5-6) 3.61 9.33 -95.26 4 6 2 76 388.519 7 ↓

Activity (Go SEA)

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