UCSF

ZINC41514148

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.76 4.03 -47.74 3 7 1 88 447.458 7
Hi High (pH 8-9.5) 2.76 2.54 -44.7 1 7 -1 89 445.442 7
Mid Mid (pH 6-8) 2.76 1.77 -11.64 2 7 0 86 446.45 7
Mid Mid (pH 6-8) 2.76 4.79 -30.92 2 7 0 90 446.45 7
Mid Mid (pH 6-8) 2.76 4.04 -41.96 3 7 1 88 447.458 7

Activity (Go SEA)

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