UCSF

ZINC62838745

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 16 No

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 3.86 -39.49 3 4 1 67 217.248 3
Mid Mid (pH 6-8) -1.10 3.53 -7.88 2 4 0 65 216.24 3

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

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