UCSF

ZINC32100504

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 18 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) 1.42 3.33 -7.23 2 3 0 45 242.322 5
Lo Low (pH 4.5-6) 1.42 3.77 -38.68 3 3 1 46 243.33 5

Activity (Go SEA)

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