UCSF

ZINC25149244

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 29 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) 4.22 14.01 -10.31 0 4 0 38 409.53 8
Lo Low (pH 4.5-6) 4.22 14.45 -36.57 1 4 1 39 410.538 8

Activity (Go SEA)

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