UCSF

ZINC36079096

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 22 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) 2.59 2.94 -19.5 1 6 0 84 346.474 6
Hi High (pH 8-9.5) 2.59 3.02 -53.79 0 6 -1 86 345.466 6

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