UCSF

ZINC39881492

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.86 14.45 -31.21 1 4 1 38 386.519 2
Mid Mid (pH 6-8) 4.86 14.32 -13.71 0 4 0 36 385.511 2

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