UCSF

ZINC39917150

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 4.03 10.54 -43.85 1 5 1 35 399.946 6
Mid Mid (pH 6-8) 4.03 8.18 -8.57 0 5 0 34 398.938 6
Mid Mid (pH 6-8) 4.03 10.42 -41.53 1 5 1 35 399.946 6
Mid Mid (pH 6-8) 4.03 11.3 -89.96 2 5 2 36 400.954 6

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