UCSF

ZINC91363977

Substance Information

In ZINC since Heavy atoms Benign functionality
June 1st, 2013 17 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) -2.63 0.51 -42.9 5 7 0 137 246.263 7
Mid Mid (pH 6-8) -2.63 0.27 -49.05 4 7 -1 136 245.255 7

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

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