UCSF

ZINC26311245

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 25 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) 3.94 9.4 -53.53 2 4 1 54 361.531 8
Hi High (pH 8-9.5) 3.94 8.11 -8.65 1 4 0 49 360.523 8

Activity (Go SEA)

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