UCSF

ZINC35499773

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 25 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) 4.06 11.5 -45.75 1 3 1 19 355.424 10
Hi High (pH 8-9.5) 4.06 10.01 -7.15 0 3 0 17 354.416 10

Activity (Go SEA)

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