UCSF

ZINC21981948

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 9 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) 1.76 1.46 -18.29 1 2 0 37 147.536 0
Hi High (pH 8-9.5) 1.76 0.99 -31.13 0 2 -1 36 146.528 0
Mid Mid (pH 6-8) 1.76 0.19 -8.29 1 2 0 33 147.536 0
Mid Mid (pH 6-8) 1.76 0.67 -34.49 2 2 1 34 148.544 0

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

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