UCSF

ZINC08771107

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 38 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) 3.90 11.14 -19.94 4 11 0 135 517.59 10
Mid Mid (pH 6-8) 3.90 12.46 -54.98 3 11 -1 137 516.582 10
Lo Low (pH 4.5-6) 3.90 13.79 -36.89 5 11 1 136 518.598 10

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

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