UCSF

ZINC36160684

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 16 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) 2.88 4.49 -44.78 4 2 1 48 222.352 6
Hi High (pH 8-9.5) 2.88 3.86 -2.73 3 2 0 46 221.344 6

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Rings

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