UCSF

ZINC70193413

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 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) 0.93 7.65 -42.27 4 7 1 88 294.427 6
Mid Mid (pH 6-8) 0.93 9.3 -102.21 5 7 2 89 295.435 6
Lo Low (pH 4.5-6) 0.93 9.6 -185.82 6 7 3 90 296.443 6

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

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