UCSF

ZINC36272914

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.90 9.53 -8.67 2 4 0 47 336.414 7
Mid Mid (pH 6-8) 3.90 10.55 -40.85 3 4 1 48 337.422 7
Lo Low (pH 4.5-6) 3.90 10.88 -90.53 4 4 2 49 338.43 7
Lo Low (pH 4.5-6) 3.90 8.99 -27.09 3 4 1 48 337.422 7

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