UCSF

ZINC49554640

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 27 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) 0.08 7.01 -24.78 2 5 1 44 361.469 4
Mid Mid (pH 6-8) 0.08 9.27 -88.64 3 5 2 45 362.477 4

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

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