UCSF

ZINC23528336

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2009 25 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) 1.43 1.51 -49.21 1 7 -1 104 337.311 3
Lo Low (pH 4.5-6) 0.97 4.17 -12.37 2 7 0 101 338.319 3

Activity (Go SEA)

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