UCSF

ZINC08417966

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 11 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) 0.27 3.3 -31.97 0 4 -1 64 143.129 0
Mid Mid (pH 6-8) 0.27 3.77 -10.44 1 4 0 65 144.137 0
Lo Low (pH 4.5-6) 0.27 4.03 -43.54 2 4 1 67 145.145 0

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

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