UCSF

ZINC33838206

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 31 No

CAS Number: 1787-61-7

Other Names:

MFCD00003935

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) 1.58 4.88 -52.74 2 10 -1 165 438.397 4
Ref Reference (pH 7) 1.58 4.97 -51.98 2 10 -1 165 438.397 4

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