UCSF

ZINC34883794

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 36 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) 7.43 16.35 -53.06 0 4 -1 66 497.74 3
Lo Low (pH 4.5-6) 7.43 14.39 -8.24 1 4 0 64 498.748 3

Activity (Go SEA)

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