UCSF

ZINC39546119

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 31 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) 4.78 9.53 -47.15 2 4 1 33 452.566 8
Hi High (pH 8-9.5) 4.78 7.26 -7.47 1 4 0 32 451.558 8
Mid Mid (pH 6-8) 4.78 9.52 -40.03 2 4 1 33 452.566 8

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