UCSF

ZINC03999618

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 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) 4.36 11.68 -38.32 1 6 1 61 413.501 4
Lo Low (pH 4.5-6) 4.36 11.98 -94.24 2 6 2 63 414.509 4

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

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