UCSF

ZINC41685717

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 2.33 6.6 -45.89 3 5 1 72 273.397 12
Mid Mid (pH 6-8) 2.33 5.26 -9 2 5 0 67 272.389 12

Activity (Go SEA)

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