UCSF

ZINC32200244

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 11 Yes

CAS Number: 1826-13-7

Other Names:

MFCD12911591

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) 2.79 5.44 -5.07 0 1 0 13 161.229 1

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