UCSF

ZINC08394181

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2006 16 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) 1.53 5.12 -9.73 1 4 0 47 231.28 1
Mid Mid (pH 6-8) 1.53 5.58 -32.14 2 4 1 48 232.288 1

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

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