UCSF

ZINC39744307

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 34 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) 3.35 11.24 -24.62 2 11 0 148 503.61 10
Hi High (pH 8-9.5) 3.54 10.02 -46.87 1 11 -1 154 502.602 10

Activity (Go SEA)

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