UCSF

ZINC37314102

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 2.55 11.13 -108.81 3 3 2 36 301.459 3
Hi High (pH 8-9.5) 2.55 9.83 -7.42 1 3 0 30 299.443 3
Mid Mid (pH 6-8) 2.55 10.39 -49.37 2 3 1 34 300.451 3

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

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