UCSF

ZINC63020978

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 16 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) 0.12 3.21 -43.4 3 4 1 65 223.296 2
Hi High (pH 8-9.5) 0.12 3.37 -4.67 2 4 0 63 222.288 2
Hi High (pH 8-9.5) 0.12 3.4 -5.56 2 4 0 63 222.288 2
Hi High (pH 8-9.5) 0.12 3.05 -4.88 2 4 0 63 222.288 2

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

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