UCSF

ZINC44887959

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 19 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) 2.03 5.39 -37.58 2 5 0 69 253.309 4
Hi High (pH 8-9.5) 2.03 4.09 -38.74 1 5 -1 65 252.301 4
Lo Low (pH 4.5-6) 2.03 5.39 -43.38 3 5 1 71 254.317 4

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

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