UCSF

ZINC12399093

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 16 No

CAS Number: 100189-59-1

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) 0.99 4.64 -6.22 0 5 0 61 220.228 4
Lo Low (pH 4.5-6) 0.99 4.93 -37.37 1 5 1 62 221.236 4

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

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