UCSF

ZINC29402186

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 22 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) 4.58 10.3 -37.27 1 2 1 14 298.45 3
Hi High (pH 8-9.5) 4.58 8.45 -2.89 0 2 0 12 297.442 3

Activity (Go SEA)

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