UCSF

ZINC53500290

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 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) 1.39 6.11 -48.2 2 5 1 60 242.306 5
Mid Mid (pH 6-8) 1.39 4.87 -7.39 1 5 0 56 241.298 5

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

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