UCSF

ZINC69985362

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 12 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) 0.55 4.42 -42.63 2 4 -1 57 201.3 1
Mid Mid (pH 6-8) -0.18 4.3 -8.7 3 4 0 60 202.308 1

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

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