UCSF

ZINC27556187

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 16 Yes

CAS Number: 3407-94-1

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) 1.27 3.14 -25.13 5 3 1 66 210.26 0
Mid Mid (pH 6-8) 1.27 2.77 -13.47 4 3 0 65 209.252 0

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