UCSF

ZINC39917002

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 32 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) 5.00 15.1 -39.89 1 5 1 41 434.604 11
Mid Mid (pH 6-8) 5.00 12.69 -12.86 0 5 0 40 433.596 11
Mid Mid (pH 6-8) 5.00 13.41 -28.49 1 5 1 41 434.604 11

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