UCSF

ZINC51443937

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 17 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) 1.20 4.83 -41.17 2 4 1 42 236.339 4
Hi High (pH 8-9.5) 1.20 3.62 -4.47 1 4 0 37 235.331 4
Mid Mid (pH 6-8) 1.20 5.29 -95.99 3 4 2 43 237.347 4

Activity (Go SEA)

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