UCSF

ZINC49519586

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 20 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) 3.88 8.6 -32.58 2 3 1 34 315.89 5
Hi High (pH 8-9.5) 3.88 6.5 -5.31 1 3 0 32 314.882 5

Activity (Go SEA)

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