UCSF

ZINC23002834

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 26 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) 4.90 12.78 -22.15 1 4 0 37 367.518 5
Hi High (pH 8-9.5) 5.88 10.96 -49.21 0 4 -1 37 366.51 4
Mid Mid (pH 6-8) 4.90 13.04 -34.4 2 4 1 38 368.526 5

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

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