UCSF

ZINC17971910

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 18 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) 1.17 8.35 -22.04 2 8 0 116 267.632 3
Mid Mid (pH 6-8) 1.24 7.11 -42.78 1 8 -1 123 266.624 3

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

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