UCSF

ZINC70091053

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2011 20 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) 4.18 9.15 -3.26 1 1 0 12 323.914 3
Mid Mid (pH 6-8) 4.18 9.67 -39.02 2 1 1 17 324.922 3

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

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