UCSF

ZINC67965751

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 24 Yes

Popular Name: 3-(1H-indol-2-ylmethyl)-12-methyl-3,8,12-triazaspiro[5.6]dodecan-7-one 3-(1H-indol-2-ylmethyl)-12-methy…

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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) 1.93 5 -42.74 3 5 1 53 327.452 2 ↓
Mid Mid (pH 6-8) 1.93 3.18 -8.93 2 5 0 51 326.444 2 ↓
Mid Mid (pH 6-8) 1.93 5.44 -40.18 3 5 1 53 327.452 2 ↓

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Rings

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

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