UCSF

ZINC40192977

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 36 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 6.24 15.07 -13 1 5 0 56 475.592 8
Lo Low (pH 4.5-6) 6.24 15.51 -34 2 5 1 57 476.6 8

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