UCSF

ZINC34234798

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.85 3.57 -44.2 1 6 -1 95 434.653 2
Hi High (pH 8-9.5) 3.85 4.35 -91.91 0 6 -2 98 433.645 2
Lo Low (pH 4.5-6) 3.40 6.24 -10.66 2 6 0 92 435.661 2

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