UCSF

ZINC19861965

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 2.26 5.75 -117.45 4 3 2 35 304.265 4
Mid Mid (pH 6-8) 2.26 3.36 -44.02 3 3 1 34 303.257 4

Activity (Go SEA)

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