UCSF

ZINC02384265

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 13 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) -2.28 1.59 -74.61 6 5 1 108 188.251 6
Hi High (pH 8-9.5) -2.28 1.26 -62.23 5 5 0 106 187.243 6

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

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