UCSF

ZINC37291308

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 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) 3.34 7.06 -11.09 2 4 0 57 322.137 2
Mid Mid (pH 6-8) 3.34 6.83 -52.25 3 4 1 59 323.145 2
Lo Low (pH 4.5-6) 3.34 7.1 -25.7 3 4 1 58 323.145 2

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

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