UCSF

ZINC28377208

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 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) 5.01 8.45 -12.1 1 4 0 60 310.349 4
Mid Mid (pH 6-8) 5.01 9.25 -44.45 0 4 -1 63 309.341 4

Activity (Go SEA)

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