UCSF

ZINC37184579

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 15 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) 1.07 4.88 -35.96 2 4 1 48 206.269 4
Hi High (pH 8-9.5) 1.07 3.83 -10.21 1 4 0 43 205.261 4
Mid Mid (pH 6-8) 1.07 5.73 -98.19 3 4 2 49 207.277 4
Mid Mid (pH 6-8) 1.07 4.43 -29.06 2 4 1 44 206.269 4

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

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