UCSF

ZINC36272967

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.75 7.49 -12.44 2 5 0 56 348.45 8
Mid Mid (pH 6-8) 3.75 9.32 -23.06 3 5 1 57 349.458 8
Mid Mid (pH 6-8) 3.75 9.61 -39.93 3 5 1 57 349.458 8
Lo Low (pH 4.5-6) 3.75 10.73 -79.78 4 5 2 58 350.466 8

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