UCSF

ZINC37052106

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 No

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) -0.90 3.04 -9.8 2 4 0 70 221.647 1
Lo Low (pH 4.5-6) -0.90 3.35 -54.27 3 4 1 72 222.655 1
Lo Low (pH 4.5-6) -0.90 3.35 -51.67 3 4 1 72 222.655 1

Activity (Go SEA)

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