UCSF

ZINC44532877

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2010 19 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) 2.28 6.9 -39.37 2 4 1 57 264.393 4
Hi High (pH 8-9.5) 2.14 4.93 -29.79 1 4 0 64 263.385 4

Activity (Go SEA)

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