UCSF

ZINC18167142

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 23 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) 4.30 7.72 -44.83 1 4 -1 60 318.381 3
Ref Reference (pH 7) 4.79 8.25 -9.62 2 4 0 61 319.389 2

Activity (Go SEA)

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