UCSF

ZINC36338634

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 46 No

Download: MOL2 SDF SMILES Flexibase

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) 2.00 9.32 -59.08 6 13 1 172 641.79 11
Mid Mid (pH 6-8) 2.00 8.18 -24.48 5 13 0 171 640.782 11

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

No pre-computed analogs available. Try a structural similarity search.