UCSF

ZINC41585982

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 39 Yes

Popular Name: propyl propyl

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Annotations

None

Vendors

    None

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) 5.16 12.13 -42.4 2 9 1 107 530.601 9 ↓
Mid Mid (pH 6-8) 5.16 11.83 -16.66 1 9 0 105 529.593 9 ↓
Mid Mid (pH 6-8) 5.16 14.05 -56.11 2 9 1 107 530.601 9 ↓
Mid Mid (pH 6-8) 5.16 14.37 -113.71 3 9 2 108 531.609 9 ↓

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Rings

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

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