UCSF

ZINC40126270

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 33 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) 4.07 6.09 -59.45 2 7 -1 108 509.332 7
Hi High (pH 8-9.5) 4.07 7 -118.14 1 7 -2 111 508.324 7
Lo Low (pH 4.5-6) 4.07 5.32 -19.6 3 7 0 105 510.34 7

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