UCSF

ZINC36123141

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.57 3.49 -11.93 0 5 0 42 270.373 4
Mid Mid (pH 6-8) 0.57 5.52 -42.37 1 5 1 43 271.381 4

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

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