UCSF

ZINC37178969

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 1.57 4.15 -49.96 3 3 1 48 253.288 4
Hi High (pH 8-9.5) 1.57 3.76 -5.94 2 3 0 46 252.28 4

Activity (Go SEA)

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