UCSF

ZINC79405294

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2012 15 Yes

Other Names:

MFCD21093914

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) 0.00 3 -29.55 2 4 1 45 215.317 4
Hi High (pH 8-9.5) 0.00 1.01 -9.04 1 4 0 44 214.309 4

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

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