UCSF

ZINC49558889

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 21 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) 2.81 10.74 -52.56 1 5 0 48 305.451 6
Hi High (pH 8-9.5) 2.81 7.97 -50.27 0 5 -1 47 304.443 6
Lo Low (pH 4.5-6) 2.09 11.34 -35.8 2 5 1 51 306.459 6

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

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