UCSF

ZINC35973424

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2009 29 Yes

CAS Number: 951174-17-7

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.35 15.49 -33.49 1 3 1 31 396.595 11
Hi High (pH 8-9.5) 6.35 14.1 -3.76 0 3 0 30 395.587 11

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