UCSF

ZINC65530373

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 26 Yes

Popular Name: 3-(methylamino)-1-adamantyl hydrosulfide 3-(methylamino)-1-adamantyl hydr…

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Other Names:

MFCD01821200

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) 1.92 9.07 -95.77 3 6 1 78 361.462 5 ↓
Hi High (pH 8-9.5) 1.92 4.11 -51.55 1 6 -1 76 359.446 5 ↓
Hi High (pH 8-9.5) 1.92 6.62 -48.83 2 6 0 77 360.454 5 ↓
Mid Mid (pH 6-8) 1.92 6.56 -56.54 2 6 0 77 360.454 5 ↓

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Rings

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

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