UCSF

ZINC50850767

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2010 17 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) 4.20 8.07 -23.41 2 3 1 39 236.383 6
Mid Mid (pH 6-8) 4.20 7.74 -4.78 1 3 0 38 235.375 6

Activity (Go SEA)

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