UCSF

ZINC39705687

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 33 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) 1.03 4.9 -67.02 3 10 1 118 477.563 8
Mid Mid (pH 6-8) 1.03 2.55 -21.37 2 10 0 117 476.555 8

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