UCSF

ZINC72480041

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2012 29 Yes

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) 4.43 13.93 -45.69 1 4 1 26 387.551 4
Lo Low (pH 4.5-6) 4.43 14.91 -109.37 2 4 2 27 388.559 4

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

No pre-computed analogs available. Try a structural similarity search.