UCSF

ZINC53374998

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 19 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) 2.51 8.76 -37.67 2 2 1 16 257.401 6
Hi High (pH 8-9.5) 2.51 6.52 -3.38 1 2 0 15 256.393 6
Lo Low (pH 4.5-6) 2.51 10.13 -118.98 3 2 2 21 258.409 6

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

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