UCSF

ZINC19977554

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 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) 1.08 3.7 -45.83 3 6 1 75 292.359 5
Mid Mid (pH 6-8) 1.08 4.45 -32.12 3 6 1 72 292.359 5
Lo Low (pH 4.5-6) 1.08 5.85 -114.57 4 6 2 76 293.367 5

Activity (Go SEA)

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