UCSF

ZINC39949069

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 21 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.52 -1.66 -111.09 5 7 2 118 285.259 2
Hi High (pH 8-9.5) 1.52 -0.72 -65.19 4 7 1 121 284.251 2
Lo Low (pH 4.5-6) 1.52 -1.11 -217.87 6 7 3 120 286.267 2

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