UCSF

ZINC59211401

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 27 No

Download: MOL2 SDF SMILES Flexibase

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) -5.17 -3.6 -48.17 5 10 0 167 394.457 6
Hi High (pH 8-9.5) -5.06 -5.04 -64.9 4 10 -1 171 393.449 6
Mid Mid (pH 6-8) -5.17 -3.08 -88.01 6 10 1 169 395.465 6
Lo Low (pH 4.5-6) -5.22 0.11 -106.2 7 10 2 162 396.473 6

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

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