UCSF

ZINC49545252

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 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) 2.77 4.16 -55.75 1 7 -1 116 313.336 3
Hi High (pH 8-9.5) 1.84 3.62 -106.18 0 7 -2 114 312.328 4
Mid Mid (pH 6-8) 1.84 3.73 -49.93 2 7 0 114 314.344 4

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

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