UCSF

ZINC57906845

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 27 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) 3.86 11.83 -62.7 2 6 1 75 366.489 5
Mid Mid (pH 6-8) 3.86 9.64 -16.93 1 6 0 74 365.481 5

Activity (Go SEA)

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