UCSF

ZINC59211414

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 28 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) -5.11 -8.2 -45.57 5 13 0 217 389.376 6
Hi High (pH 8-9.5) -5.00 -9.7 -77.09 4 13 -1 221 388.368 6
Mid Mid (pH 6-8) -5.17 -5.21 -44.53 6 13 1 211 390.384 6
Mid Mid (pH 6-8) -5.11 -7.69 -76.68 6 13 1 218 390.384 6
Lo Low (pH 4.5-6) -5.17 -4.69 -88.7 7 13 2 212 391.392 6

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

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