UCSF

ZINC31825664

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 28 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) 4.16 11.11 -49.04 2 5 1 52 405.946 10
Hi High (pH 8-9.5) 4.16 8.9 -13.07 1 5 0 51 404.938 10

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