UCSF

ZINC67245740

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 30 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) 3.24 7.33 -16.47 1 7 0 92 420.494 4
Hi High (pH 8-9.5) 3.42 5.09 -65.3 0 7 -1 98 419.486 4
Lo Low (pH 4.5-6) 3.24 7.63 -45.33 2 7 1 93 421.502 4

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

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