UCSF

ZINC48907615

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 20 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) 1.49 4.84 -49.56 2 7 1 96 300.36 4
Hi High (pH 8-9.5) 1.49 4.49 -36.03 1 7 0 99 299.352 4
Hi High (pH 8-9.5) 1.49 2.18 -10.22 1 7 0 95 299.352 4

Activity (Go SEA)

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