UCSF

ZINC32100428

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) 2.14 4.31 -7.84 2 3 0 45 242.322 4
Lo Low (pH 4.5-6) 2.14 4.75 -40.11 3 3 1 46 243.33 4

Activity (Go SEA)

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