UCSF

ZINC53033068

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2010 18 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) 2.10 6.83 -83.03 3 3 2 24 255.45 7
Mid Mid (pH 6-8) 2.10 4.61 -38.91 2 3 1 23 254.442 7
Mid Mid (pH 6-8) 2.10 9.18 -190.62 4 3 3 25 256.458 7
Mid Mid (pH 6-8) 2.10 6.98 -101.61 3 3 2 24 255.45 7

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

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