UCSF

ZINC49001303

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 19 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) 3.31 8.09 -48.97 2 4 1 57 301.197 5
Mid Mid (pH 6-8) 3.31 6.12 -10.68 1 4 0 56 300.189 5

Activity (Go SEA)

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