UCSF

ZINC36584729

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2009 27 No

CAS Number: 148016-81-3

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) -1.22 -5.64 -112.67 6 10 0 169 420.513 7
Mid Mid (pH 6-8) -1.22 -6 -105.34 5 10 -1 172 419.505 7

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