UCSF

ZINC19875647

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 12 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) 2.31 4.82 -3.8 1 1 0 12 179.65 3
Mid Mid (pH 6-8) 2.31 6.25 -43.31 2 1 1 17 180.658 3

Activity (Go SEA)

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