UCSF

ZINC51580417

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 21 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) 0.96 3.45 -40.26 3 6 1 72 300.423 9
Hi High (pH 8-9.5) 0.96 1.29 -11.22 2 6 0 71 299.415 9

Activity (Go SEA)

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