UCSF

ZINC18154791

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 23 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) 4.06 8.73 -23.23 1 5 0 64 345.811 5
Mid Mid (pH 6-8) 4.25 7.66 -50.8 0 5 -1 70 344.803 5

Activity (Go SEA)

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