UCSF

ZINC06147554

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 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) 4.65 8.45 -43.39 0 6 -1 72 397.476 7
Lo Low (pH 4.5-6) 4.65 9.16 -15.91 1 6 0 70 398.484 7

Activity (Go SEA)

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