UCSF

ZINC49068745

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 20 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) 3.51 6.04 -12.92 1 4 0 55 351.225 3
Mid Mid (pH 6-8) 3.97 3.67 -51.2 0 4 -1 58 350.217 3

Activity (Go SEA)

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