UCSF

ZINC62031171

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 21 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) 3.11 8.32 -33.75 2 3 1 26 291.459 7
Hi High (pH 8-9.5) 3.11 6.07 -2.67 1 3 0 24 290.451 7
Hi High (pH 8-9.5) 3.11 7.21 -33.25 2 3 1 29 291.459 7

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

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