UCSF

ZINC35017714

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.38 4.99 -53.3 4 8 1 104 418.493 6
Mid Mid (pH 6-8) 1.38 3.71 -55.16 2 8 -1 106 416.477 6
Mid Mid (pH 6-8) 1.38 3.11 -10.81 3 8 0 103 417.485 6
Mid Mid (pH 6-8) 1.38 5.62 -74.99 3 8 0 107 417.485 6
Lo Low (pH 4.5-6) 1.38 6.68 -100.42 5 8 2 106 419.501 6
Lo Low (pH 4.5-6) 1.38 6.88 -209.36 6 8 3 110 420.509 6

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