UCSF

ZINC04188401

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 34 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) 3.00 0.03 -16.07 1 10 0 124 459.462 8
Lo Low (pH 4.5-6) 3.00 0.08 -52.46 2 10 1 125 460.47 8

Activity (Go SEA)

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