UCSF

ZINC68891289

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 16 Yes

Popular Name: (2R)-1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-3-methoxy-propan-2-ol (2R)-1-[(9aR)-1,3,4,5,7,8,9,9a-o…

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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) 0.23 2.67 -35.82 2 4 1 37 229.344 4 ↓
Mid Mid (pH 6-8) 0.23 2.23 -31.53 2 4 1 37 229.344 4 ↓
Mid Mid (pH 6-8) 0.23 4.2 -103.51 3 4 2 38 230.352 4 ↓

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

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