UCSF

ZINC04171552

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 29 No

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) 3.87 7.96 -21.9 1 5 0 72 408.42 7
Mid Mid (pH 6-8) 4.45 1.37 -35.89 3 5 1 76 409.428 6
Mid Mid (pH 6-8) 3.87 0.8 -40.18 2 5 1 73 409.428 7

Activity (Go SEA)

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