UCSF

ZINC32180301

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 22 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) 1.16 5.41 -57.49 3 5 1 66 299.35 5
Mid Mid (pH 6-8) 1.16 5.03 -13.89 2 5 0 65 298.342 5

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