UCSF

ZINC69985644

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 14 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) 1.32 4.02 -38.73 0 3 -1 40 204.278 1
Mid Mid (pH 6-8) 1.32 4.58 -6.64 1 3 0 42 205.286 1
Lo Low (pH 4.5-6) 1.32 5.03 -33.19 2 3 1 43 206.294 1

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

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