UCSF

ZINC66128451

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 32 Yes

Popular Name: isopropyl isopropyl

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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) 4.19 10.34 -12.01 1 7 0 81 437.54 5 ↓
Lo Low (pH 4.5-6) 4.19 10.69 -32.65 2 7 1 82 438.548 5 ↓

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Rings

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