UCSF

ZINC95938756

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2014 19 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) 2.54 7.77 -74.04 3 5 0 94 273.373 11
Mid Mid (pH 6-8) 2.54 7.43 -46.71 2 5 -1 92 272.365 11
Lo Low (pH 4.5-6) 2.54 5.79 -46.71 4 5 1 91 274.381 11

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

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