UCSF

ZINC08683952

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2007 34 Yes

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) 4.94 10.47 -15.13 2 7 0 95 474.586 5
Lo Low (pH 4.5-6) 4.94 10.59 -38.79 3 7 1 96 475.594 5

Activity (Go SEA)

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