UCSF

ZINC21537172

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 31 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) 3.76 7.78 -23.14 2 9 0 118 455.569 7
Ref Reference (pH 7) 3.30 10.31 -24.44 2 9 0 118 455.569 7
Hi High (pH 8-9.5) 3.94 7.83 -104.12 0 9 -2 127 453.553 7

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

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