UCSF

ZINC33331155

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2009 32 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) 3.60 8.97 -49.34 0 8 -1 114 433.371 5
Lo Low (pH 4.5-6) 3.15 10.75 -16.3 1 8 0 111 434.379 5

Activity (Go SEA)

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