UCSF

ZINC28573101

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2009 20 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) 3.14 7.74 -20.33 1 4 0 59 353.241 4
Hi High (pH 8-9.5) 3.33 6.65 -35.83 0 4 -1 65 352.233 4

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