UCSF

ZINC69774950

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 25 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) 2.62 8.95 -78.93 4 5 2 48 341.503 6
Mid Mid (pH 6-8) 2.62 8.83 -43.06 3 5 1 46 340.495 6
Lo Low (pH 4.5-6) 2.62 9.98 -202.3 5 5 3 52 342.511 6

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

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