UCSF

ZINC61357107

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 30 No

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Annotations

Vendors

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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) 2.12 7.25 -19.29 2 10 0 123 435.506 8
Hi High (pH 8-9.5) 2.31 4.81 -57.25 1 10 -1 129 434.498 8

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

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