UCSF

ZINC36125562

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 31 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) 3.17 10.86 -29.5 0 7 0 79 410.433 4
Lo Low (pH 4.5-6) -4.40 10.19 -48.46 1 7 1 88 411.441 3

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

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