UCSF

ZINC54936393

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 14 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) -1.10 0.63 -36.4 1 7 -1 91 190.19 3
Mid Mid (pH 6-8) -1.10 1.08 -47.48 2 7 0 92 191.198 3
Lo Low (pH 4.5-6) -1.10 1.08 -36.08 3 7 1 94 192.206 3

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

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