UCSF

ZINC44457758

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) -0.18 2.67 -24.85 1 10 0 95 459.547 7
Mid Mid (pH 6-8) -0.18 4.87 -69.73 2 10 1 96 460.555 7
Mid Mid (pH 6-8) -0.18 4.86 -65.39 2 10 1 96 460.555 7
Lo Low (pH 4.5-6) -0.18 7.08 -129.31 3 10 2 97 461.563 7

Activity (Go SEA)

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