UCSF

ZINC38733547

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 36 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) 4.04 10.94 -14.19 0 8 0 89 490.556 8
Mid Mid (pH 6-8) 4.04 13.21 -50.96 1 8 1 90 491.564 8

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