UCSF

ZINC41847960

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 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) 1.87 5.35 -13.18 1 4 0 39 311.307 3
Lo Low (pH 4.5-6) 1.87 7.33 -51.87 2 4 1 41 312.315 3

Activity (Go SEA)

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