UCSF

ZINC39806272

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -3.37 -2.02 -79.26 7 9 0 169 316.358 10
Hi High (pH 8-9.5) -3.37 -2.3 -47.19 6 9 -1 167 315.35 10

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