UCSF

ZINC50031976

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 20 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) 2.10 7.62 -40.99 2 5 1 60 285.408 10
Hi High (pH 8-9.5) 2.10 6.12 -9.14 1 5 0 59 284.4 10

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