UCSF

ZINC38570108

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 33 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) 2.74 4.43 -37.88 2 8 1 86 445.499 5
Mid Mid (pH 6-8) 2.74 6.69 -84.63 3 8 2 88 446.507 5
Lo Low (pH 4.5-6) 2.74 7.07 -175 4 8 3 89 447.515 5

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

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