UCSF

ZINC49556814

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 20 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) 2.49 5.04 -20.16 1 6 0 89 318.42 6
Hi High (pH 8-9.5) 1.56 4.55 -53.59 0 6 -1 87 317.412 7

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

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