UCSF

ZINC50657170

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2010 21 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) 0.71 1.62 -13.51 4 8 0 118 306.351 3
Mid Mid (pH 6-8) 0.71 2.29 -39.81 4 8 0 122 306.351 3
Mid Mid (pH 6-8) 0.71 2.1 -34.38 5 8 1 119 307.359 3
Mid Mid (pH 6-8) 0.71 1.81 -48.71 3 8 -1 120 305.343 3

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

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