UCSF

ZINC35100132

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 33 Yes

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) 5.40 12.4 -11.09 0 5 0 44 459.719 10
Mid Mid (pH 6-8) 5.40 14.59 -46.79 1 5 1 45 460.727 10

Activity (Go SEA)

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