UCSF

ZINC01785510

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 39 No

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) 8.33 19.39 -11.43 1 6 0 60 573.498 4
Mid Mid (pH 6-8) 8.33 19.26 -16.26 1 6 0 64 573.498 4
Mid Mid (pH 6-8) 8.33 18.76 -47.59 0 6 -1 62 572.49 4
Mid Mid (pH 6-8) 8.33 19.82 -26.88 2 6 1 62 574.506 4

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

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