UCSF

ZINC70009909

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 23 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) 1.40 2.35 -39.83 4 7 1 102 334.425 4
Ref Reference (pH 7) 1.21 1.02 -39.05 4 7 1 106 334.425 4
Hi High (pH 8-9.5) 1.21 1.74 -35.69 3 7 0 109 333.417 4
Mid Mid (pH 6-8) 1.21 -0.41 -12.48 3 7 0 105 333.417 4

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

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