UCSF

ZINC39307001

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 23 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) 3.03 9.16 -10.87 0 4 0 53 306.365 4
Lo Low (pH 4.5-6) 3.03 11.43 -60.51 1 4 1 55 307.373 4

Activity (Go SEA)

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