UCSF

ZINC36881330

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 No

Download: MOL2 SDF SMILES Flexibase

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) 3.55 5.01 -33.07 0 3 -1 48 335.154 6
Mid Mid (pH 6-8) 3.55 4.96 -10.68 1 3 0 46 336.162 6

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Rings

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