UCSF

ZINC18193731

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 27 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) 6.11 8.57 -38.97 0 5 -1 63 511.215 6
Lo Low (pH 4.5-6) 6.11 9.12 -13.67 1 5 0 60 512.223 6

Activity (Go SEA)

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