UCSF

ZINC69950799

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 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) 1.88 6.4 -49.98 2 6 1 63 345.467 7
Hi High (pH 8-9.5) 1.88 4.17 -10.51 1 6 0 61 344.459 7
Mid Mid (pH 6-8) 2.34 4.02 -52.06 1 6 0 66 344.459 7

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

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