UCSF

ZINC49238135

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 21 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) 2.52 3.15 -12.67 4 7 0 113 390.288 4
Mid Mid (pH 6-8) 1.60 2.46 -40.8 3 7 -1 112 389.28 5
Lo Low (pH 4.5-6) 2.52 3.63 -34.33 5 7 1 114 391.296 4

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

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