UCSF

ZINC51555386

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 18 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) 1.62 4.37 -33.3 2 4 1 43 260.398 8
Hi High (pH 8-9.5) 1.62 1.89 -6.62 1 4 0 42 259.39 8

Activity (Go SEA)

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