UCSF

ZINC35636397

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 33 No

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) 1.93 -5.88 -15.84 6 12 0 207 461.427 8
Hi High (pH 8-9.5) 1.93 -5.16 -45.37 5 12 -1 209 460.419 8

Activity (Go SEA)

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