UCSF

ZINC18271833

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2008 28 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) 2.03 5.87 -97.06 0 8 -2 124 378.34 5
Lo Low (pH 4.5-6) 1.57 8.53 -52.15 1 8 -1 121 379.348 5

Activity (Go SEA)

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