UCSF

ZINC62980755

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 21 Yes

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) 1.81 5.82 -50.45 2 5 1 58 288.371 4
Hi High (pH 8-9.5) 2.27 1.84 -47.03 0 5 -1 59 286.355 4
Mid Mid (pH 6-8) 1.81 3.73 -8.94 1 5 0 56 287.363 4

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

No pre-computed analogs available. Try a structural similarity search.