UCSF

ZINC33594965

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 37 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) 5.82 12.73 -43.5 0 7 -1 92 511.579 8
Lo Low (pH 4.5-6) 5.82 11.59 -21.62 1 7 0 89 512.587 8

Activity (Go SEA)

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