UCSF

ZINC63012566

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 18 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) 1.84 5.46 -9.02 2 4 0 51 241.294 1
Mid Mid (pH 6-8) 1.84 5.94 -27.36 3 4 1 53 242.302 1

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

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