UCSF

ZINC04954303

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.75 -0.14 -49.57 3 6 1 82 395.479 6
Mid Mid (pH 6-8) 3.20 -0.57 -61.89 3 6 1 82 395.479 5
Mid Mid (pH 6-8) 2.17 -0.31 -59.3 2 6 1 79 395.479 6

Activity (Go SEA)

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