UCSF

ZINC57291646

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 25 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) 1.94 6.3 -53.28 0 7 -1 92 335.343 4
Hi High (pH 8-9.5) 1.23 8.25 -113.37 0 7 -2 94 334.335 3
Mid Mid (pH 6-8) 1.94 8.18 -17.41 1 7 0 89 336.351 4
Lo Low (pH 4.5-6) 1.94 8.16 -47.27 1 7 0 89 336.351 4

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

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