UCSF

ZINC00059994

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 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) 4.73 4.62 -5.93 2 3 0 53 340.604 2
Mid Mid (pH 6-8) 4.73 5.39 -39.3 1 3 -1 56 339.596 2
Lo Low (pH 4.5-6) 4.73 5.12 -32.13 3 3 1 54 341.612 2
Lo Low (pH 4.5-6) 4.73 5.89 -29.4 2 3 0 57 340.604 2

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

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