UCSF

ZINC39675702

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 38 Yes

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) 1.39 9.39 -121.37 4 9 2 98 526.678 9
Hi High (pH 8-9.5) 1.39 6.69 -66.91 3 9 1 97 525.67 9

Activity (Go SEA)

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