UCSF

ZINC35151103

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 16 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) 1.68 6.88 -98 3 3 2 30 230.396 8
Mid Mid (pH 6-8) 1.68 5.54 -30.7 2 3 1 26 229.388 8
Mid Mid (pH 6-8) 1.68 4.72 -36.6 2 3 1 29 229.388 8

Activity (Go SEA)

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