UCSF

ZINC21811091

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 6.68 8.65 -1.92 2 1 0 26 389.924 2
Lo Low (pH 4.5-6) 6.68 8.98 -41.19 3 1 1 28 390.932 2

Activity (Go SEA)

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