UCSF

ZINC69813180

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 25 Yes

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) -0.42 4.17 -41.04 1 8 1 66 349.459 6
Mid Mid (pH 6-8) -0.42 1.82 -13.21 0 8 0 65 348.451 6

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

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