UCSF

ZINC49510218

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 20 Yes

Popular Name: 7-chloro-1-[(1R)-1-methyl-2-morpholino-ethyl]benzimidazol-2-amine 7-chloro-1-[(1R)-1-methyl-2-morp…

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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) 2.17 5.75 -8.12 2 5 0 56 294.786 3 ↓
Mid Mid (pH 6-8) 2.17 6.23 -29.81 3 5 1 58 295.794 3 ↓
Mid Mid (pH 6-8) 2.17 7.76 -43.35 3 5 1 58 295.794 3 ↓
Lo Low (pH 4.5-6) 2.17 8.23 -91.67 4 5 2 59 296.802 3 ↓

Activity (Go SEA)

Rings

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

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