UCSF

ZINC39694001

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 37 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) 2.55 11.91 -103.7 4 7 2 74 505.707 6
Mid Mid (pH 6-8) 2.55 9.56 -56.24 3 7 1 72 504.699 6

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