UCSF

ZINC36876537

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 2.50 5.8 -40.7 3 4 1 55 276.335 3
Hi High (pH 8-9.5) 2.50 4.77 -8.43 2 4 0 50 275.327 3
Mid Mid (pH 6-8) 2.50 6.25 -117.04 4 4 2 56 277.343 3

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

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