UCSF

ZINC49580925

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 36 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) 5.38 9.02 -17.31 4 6 0 82 482.628 11
Hi High (pH 8-9.5) 5.38 10.12 -54.79 5 6 1 87 483.636 11
Mid Mid (pH 6-8) 5.38 10.12 -54.8 5 6 1 87 483.636 11

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

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