UCSF

ZINC64978564

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2011 29 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) 2.04 8.89 -64.61 1 9 -1 115 397.411 6
Mid Mid (pH 6-8) 2.04 9.37 -64.63 2 9 0 116 398.419 6

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

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