UCSF

ZINC39301508

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 31 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) 5.16 10.22 -12.9 5 8 0 114 420.517 8
Mid Mid (pH 6-8) 5.16 10.29 -35.72 6 8 1 115 421.525 8
Mid Mid (pH 6-8) 5.16 10.2 -34.71 6 8 1 115 421.525 8

Activity (Go SEA)

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