UCSF

ZINC04890955

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 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) 3.92 6.79 -7.52 1 4 0 54 406.338 5
Lo Low (pH 4.5-6) 3.92 7.67 -35.3 2 4 1 55 407.346 5

Activity (Go SEA)

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