UCSF

ZINC44888037

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 19 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) 0.91 1.9 -36.76 2 7 0 88 263.301 6
Hi High (pH 8-9.5) 0.91 0.71 -43.27 1 7 -1 83 262.293 6
Lo Low (pH 4.5-6) 0.91 2.14 -48.43 3 7 1 90 264.309 6

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

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