UCSF

ZINC79670055

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2012 26 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) 2.96 11.04 -49.42 2 5 -1 92 352.41 9
Mid Mid (pH 6-8) 2.96 11.35 -75.24 3 5 0 94 353.418 9
Lo Low (pH 4.5-6) 2.96 9.37 -57.19 4 5 1 91 354.426 9

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

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