UCSF

ZINC24872798

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 32 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) 2.14 8.25 -49.19 3 8 1 78 440.568 8
Hi High (pH 8-9.5) 2.14 5.71 -19.14 2 8 0 77 439.56 8
Mid Mid (pH 6-8) 2.14 10.52 -108.57 4 8 2 80 441.576 8

Activity (Go SEA)

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