UCSF

ZINC39034476

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -1.30 -5.72 -64.07 6 10 1 171 439.561 6
Hi High (pH 8-9.5) -1.30 -5.63 -51.83 4 10 -1 167 437.545 6
Hi High (pH 8-9.5) -1.30 -6.12 -21.62 5 10 0 170 438.553 6

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