UCSF

ZINC58405331

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2011 17 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) -1.48 2.13 -18.45 1 6 0 75 235.243 1
Mid Mid (pH 6-8) -1.48 4.53 -50.83 2 6 1 76 236.251 1

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

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