UCSF

ZINC62534441

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 20 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) 1.78 9.21 -96.62 3 5 2 62 281.4 9
Hi High (pH 8-9.5) 1.78 7.2 -9.06 1 5 0 56 279.384 9
Mid Mid (pH 6-8) 1.78 7.66 -30.86 2 5 1 57 280.392 9
Mid Mid (pH 6-8) 1.78 8.73 -50.66 2 5 1 61 280.392 9

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

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