UCSF

ZINC17258422

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 14 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) 1.47 -0.27 -42.33 0 5 -1 75 203.206 0
Mid Mid (pH 6-8) 1.01 0.57 -11.09 1 5 0 72 204.214 0

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

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