UCSF

ZINC12359511

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 14 Yes

Popular Name: (S)-Indoline-2-carboxylic acid ethyl ester (S)-Indoline-2-carboxylic acid e…

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CAS Numbers: 50501-07-0 , 79854-42-5 , 82923-81-7 , [82923-81-7]

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) 2.01 0.03 -6.69 1 3 0 38 191.23 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 152-158? Alfa-Aesar
Melting_Point 152-158° Alfa-Aesar
MP 55 TCI

Activity (Go SEA)

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