UCSF

ZINC33590450

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 27 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) 2.86 9.07 -12.48 1 5 0 41 425.385 8
Mid Mid (pH 6-8) 2.86 11.34 -49.87 2 5 1 42 426.393 8
Lo Low (pH 4.5-6) 2.86 11.79 -105.82 3 5 2 43 427.401 8

Activity (Go SEA)

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