UCSF

ZINC55042258

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 26 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) 2.33 11.71 -75.93 0 7 -1 89 368.394 5
Mid Mid (pH 6-8) -0.95 10.16 -82.28 2 7 1 93 370.41 5
Mid Mid (pH 6-8) -0.95 9.7 -43.36 1 7 0 91 369.402 5
Mid Mid (pH 6-8) 2.33 12.17 -93.56 1 7 0 90 369.402 5

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

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