UCSF

ZINC23655505

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2009 29 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) 2.68 5.86 -21.75 1 7 0 95 452.941 6
Hi High (pH 8-9.5) 2.75 4.95 -52.04 0 7 -1 101 451.933 6

Activity (Go SEA)

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