UCSF

ZINC26647245

Substance Information

In ZINC since Heavy atoms Benign functionality
February 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) 3.35 10.03 -54.1 2 6 1 76 366.507 8
Hi High (pH 8-9.5) 3.35 8.54 -10.72 1 6 0 75 365.499 8
Mid Mid (pH 6-8) 3.80 7.36 -42.49 1 6 0 80 365.499 8

Activity (Go SEA)

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