UCSF

ZINC45694002

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 16 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) 1.98 6.1 -83.8 3 3 2 24 231.428 10
Hi High (pH 8-9.5) 1.98 6.99 -105.33 3 3 2 21 231.428 10
Hi High (pH 8-9.5) 1.98 3.63 -35.72 2 3 1 23 230.42 10
Mid Mid (pH 6-8) 1.98 5.72 -99.94 3 3 2 24 231.428 10

Activity (Go SEA)

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