UCSF

ZINC17995018

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 30 No

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) 1.65 8.72 -70.06 3 6 1 79 422.53 6
Mid Mid (pH 6-8) 1.65 9.45 -24.67 2 6 0 78 421.522 6

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

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