UCSF

ZINC52916601

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 28 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) 2.06 5.12 -40.08 5 7 1 106 391.398 8
Hi High (pH 8-9.5) 1.88 2.34 -66.57 3 7 -1 111 389.382 8
Hi High (pH 8-9.5) 1.88 1.94 -58.26 3 7 -1 111 389.382 8

Activity (Go SEA)

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