UCSF

ZINC69921538

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 26 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) 0.93 2.65 -7.5 1 7 0 65 358.442 4
Mid Mid (pH 6-8) 0.93 5.08 -47.7 2 7 1 66 359.45 4
Lo Low (pH 4.5-6) 0.93 7.46 -96.4 3 7 2 68 360.458 4

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

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