UCSF

ZINC32105825

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 2.14 6.65 -108.19 4 3 2 41 252.402 8
Mid Mid (pH 6-8) 2.14 4.7 -43.55 3 3 1 40 251.394 8

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