UCSF

ZINC69144949

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 18 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) -0.18 1.29 -59.56 1 7 -1 112 270.29 3
Mid Mid (pH 6-8) -0.18 1.42 -36.95 2 7 0 113 271.298 3

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

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