UCSF

ZINC05050293

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 24 No

Download: MOL2 SDF SMILES Flexibase

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) 2.49 3.21 -35.43 1 9 -1 133 397.161 5
Mid Mid (pH 6-8) 2.03 4.89 -15.14 2 9 0 130 398.169 5
Mid Mid (pH 6-8) 2.49 2.29 -49.84 1 9 -1 133 397.161 5

Activity (Go SEA)

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