UCSF

ZINC69799426

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 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) 0.45 2.4 -43.72 3 4 1 49 223.344 3
Hi High (pH 8-9.5) 0.45 2.12 -4.93 2 4 0 47 222.336 3
Lo Low (pH 4.5-6) 0.45 4.21 -33.86 3 4 1 48 223.344 3
Lo Low (pH 4.5-6) 0.45 4.51 -109.76 4 4 2 50 224.352 3

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

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