UCSF

ZINC24988630

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 20 No

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Annotations

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Vendors

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) 1.85 8.16 -52.75 3 7 1 92 282.368 3
Mid Mid (pH 6-8) 1.85 8.45 -116.2 4 7 2 97 283.376 3
Lo Low (pH 4.5-6) 1.85 8.61 -93.24 4 7 2 94 283.376 3

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

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