UCSF

ZINC09273413

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.80 0.15 -21.47 0 6 0 64 461.587 10
Lo Low (pH 4.5-6) 5.80 0.27 -59 1 6 1 65 462.595 10

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