UCSF

ZINC14011413

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 31 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) 2.21 11.71 -31.48 3 10 0 142 444.469 12
Mid Mid (pH 6-8) 2.25 11.81 -71.17 2 10 -1 143 443.461 11

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

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