UCSF

ZINC80053354

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2012 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.84 5.29 -19.48 3 10 0 131 435.525 7
Mid Mid (pH 6-8) 3.30 3.67 -67.04 2 10 -1 134 434.517 7

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

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