UCSF

ZINC06561116

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 26 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) 3.83 11.97 -14.67 1 4 0 37 363.486 8
Lo Low (pH 4.5-6) 3.83 12.43 -42.2 2 4 1 39 364.494 8

Activity (Go SEA)

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