UCSF

ZINC04803644

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2006 25 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) 2.52 3.74 -29.78 3 7 0 105 343.335 6
Hi High (pH 8-9.5) 2.52 4.67 -56.47 2 7 -1 108 342.327 6

Activity (Go SEA)

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