UCSF

ZINC40038381

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 23 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 8.52 -12.22 1 5 0 68 329.425 3
Hi High (pH 8-9.5) 4.13 6.76 -52.62 0 5 -1 74 328.417 3

Activity (Go SEA)

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