UCSF

ZINC36713082

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 32 Yes

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) 2.82 12.16 -13.32 0 6 0 68 424.504 4
Lo Low (pH 4.5-6) 2.82 12.74 -34.58 1 6 1 69 425.512 4

Activity (Go SEA)

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