UCSF

ZINC53343087

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 17 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) 2.92 7.71 -31.8 2 2 1 16 253.435 6
Hi High (pH 8-9.5) 2.92 5.81 -2 1 2 0 15 252.427 6
Lo Low (pH 4.5-6) 2.92 9.06 -113.84 3 2 2 21 254.443 6

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

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