UCSF

ZINC13524645

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 17 No

CAS Numbers: 130952-46-4 , 82571-53-7

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) 1.56 9.45 -49.81 0 4 -1 58 227.243 4
Mid Mid (pH 6-8) 1.56 9.96 -62.38 1 4 0 59 228.251 4

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