UCSF

ZINC69236384

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 19 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) 4.24 7.3 -27.01 3 3 1 42 264.437 3
Hi High (pH 8-9.5) 4.24 6.49 -4.76 2 3 0 41 263.429 3
Mid Mid (pH 6-8) 4.24 7.84 -38.94 3 3 1 45 264.437 3

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

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