UCSF

ZINC26148128

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 20 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) 0.66 6.67 -53.18 2 8 1 93 284.34 5
Mid Mid (pH 6-8) 0.66 7.74 -66.83 2 8 1 89 284.34 5
Lo Low (pH 4.5-6) 0.66 8.19 -114.27 3 8 2 91 285.348 5

Activity (Go SEA)

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