UCSF

ZINC62960517

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 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) 4.65 10.12 -8.63 0 3 0 29 301.821 1
Mid Mid (pH 6-8) 4.65 10.25 -23.5 1 3 1 30 302.829 1
Mid Mid (pH 6-8) 4.65 10.26 -23.97 1 3 1 30 302.829 1

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

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