UCSF

ZINC28604512

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2009 35 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) 3.93 11.26 -42.98 1 10 1 105 481.529 8
Lo Low (pH 4.5-6) 3.93 11.92 -92.81 2 10 2 106 482.537 8

Activity (Go SEA)

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