UCSF

ZINC20126887

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 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) 1.92 2.76 -118.22 5 4 2 61 252.358 5
Mid Mid (pH 6-8) 1.93 1.48 -38.16 4 4 1 57 251.35 5

Activity (Go SEA)

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