UCSF

ZINC04719584

Substance Information

In ZINC since Heavy atoms Benign functionality
January 1st, 2006 28 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) 3.01 3.85 -15.74 0 7 0 95 387.432 6
Mid Mid (pH 6-8) 3.01 6.5 -12.67 0 7 0 95 387.432 6
Mid Mid (pH 6-8) 3.01 5.79 -43.5 0 7 0 95 387.432 6
Mid Mid (pH 6-8) 3.18 6.53 -25.45 0 7 0 95 387.432 6

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