UCSF

ZINC61700501

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 21 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) 3.16 7.7 -51.14 3 5 1 67 372.312 6
Hi High (pH 8-9.5) 3.16 6.61 -8.73 2 5 0 63 371.304 6

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

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