UCSF

ZINC61440494

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 20 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) 4.10 6.35 -45.16 4 3 1 56 304.826 3
Hi High (pH 8-9.5) 4.10 5.92 -7.17 3 3 0 55 303.818 3
Lo Low (pH 4.5-6) 4.10 6.93 -95.66 5 3 2 58 305.834 3

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

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