UCSF

ZINC33693637

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 36 Yes

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) 3.72 13.09 -10.52 0 7 0 70 485.632 9
Lo Low (pH 4.5-6) 3.72 14.73 -49.94 1 7 1 71 486.64 9

Activity (Go SEA)

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