UCSF

ZINC39988408

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 24 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) -1.56 -0.14 -44.49 3 8 1 94 349.448 2
Hi High (pH 8-9.5) -1.56 -0.48 -11.31 2 8 0 93 348.44 2

Activity (Go SEA)

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