UCSF

ZINC22927762

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 17 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) 2.34 6.7 -39.16 1 3 1 21 233.335 5
Hi High (pH 8-9.5) 2.34 4.16 -5.57 0 3 0 20 232.327 5
Mid Mid (pH 6-8) 2.34 6.56 -37.95 1 3 1 21 233.335 5
Mid Mid (pH 6-8) 2.34 8.9 -111.83 2 3 2 22 234.343 5

Activity (Go SEA)

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