UCSF

ZINC00948843

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 26 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) 4.52 8.07 -11.03 3 7 0 114 409.254 4
Lo Low (pH 4.5-6) 4.52 -2.58 -47.25 4 7 1 115 410.262 4

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

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