UCSF

ZINC70672769

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2011 42 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) -0.07 -3.75 -95.01 9 14 2 224 594.614 15
Hi High (pH 8-9.5) -0.07 -5.56 -21.79 7 14 0 220 592.598 15
Mid Mid (pH 6-8) -0.07 -4.6 -49.94 8 14 1 222 593.606 15
Mid Mid (pH 6-8) -0.07 -4.76 -39.32 8 14 1 222 593.606 15

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

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