UCSF

ZINC62580161

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 27 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) -0.86 6.18 -40.79 1 10 0 124 385.409 4
Hi High (pH 8-9.5) -0.79 4.16 -75.4 0 10 -1 130 384.401 4

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

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