UCSF

ZINC44830820

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 26 No

CAS Number: 154229-19-3

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) 4.42 9.48 -5.08 1 2 0 33 349.518 1
Mid Mid (pH 6-8) 4.42 9.93 -34.67 2 2 1 34 350.526 1

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