UCSF

ZINC64978863

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2011 22 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) -0.34 5.1 -53.13 2 8 0 105 309.322 5
Mid Mid (pH 6-8) -0.34 4.59 -61.88 1 8 -1 104 308.314 5

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

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