UCSF

ZINC12960297

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 12 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) -1.27 -0.85 -17.25 4 7 0 114 167.128 1
Mid Mid (pH 6-8) -1.27 -0.37 -57.19 5 7 1 115 168.136 1

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

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