UCSF

ZINC62602460

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 21 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) 1.33 6.5 -14.67 2 7 0 93 309.395 9
Hi High (pH 8-9.5) 1.33 6.02 -39.6 1 7 -1 91 308.387 9
Mid Mid (pH 6-8) 1.33 7.04 -59.06 2 7 0 96 309.395 9
Mid Mid (pH 6-8) 1.33 7.54 -46.83 3 7 1 97 310.403 9

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

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