UCSF

ZINC40125784

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 29 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) 3.35 3.93 -57.79 2 7 -1 108 461.288 7
Hi High (pH 8-9.5) 3.35 4.84 -116.36 1 7 -2 111 460.28 7
Lo Low (pH 4.5-6) 3.35 3.16 -17.94 3 7 0 105 462.296 7

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