UCSF

ZINC36387899

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2009 31 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) 1.40 2.95 -142.83 4 10 -1 156 503.962 9
Hi High (pH 8-9.5) 1.40 0.65 -140.98 3 10 -2 154 502.954 9
Mid Mid (pH 6-8) 1.40 1.84 -63.56 5 10 0 153 504.97 9

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

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