UCSF

ZINC39849376

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 34 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) 1.76 9.52 -74.58 1 9 0 106 470.522 11
Lo Low (pH 4.5-6) 1.76 8.67 -49.07 2 9 1 103 471.53 11

Activity (Go SEA)

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