UCSF

ZINC65508599

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 23 Yes

Popular Name: (7aS)-5-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridyl]-7aH-indole (7aS)-5-[5-[(4-methylpiperazin-1…

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Download: MOL2 SDF SMILES Flexibase

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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) 1.25 5.86 -39.76 1 4 1 33 307.421 3 ↓
Hi High (pH 8-9.5) 1.25 3.49 -6.88 0 4 0 32 306.413 3 ↓

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

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