UCSF

ZINC35098345

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 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) 1.65 6.79 -97.37 3 3 2 30 230.396 8
Mid Mid (pH 6-8) 1.65 5.44 -29.97 2 3 1 26 229.388 8
Mid Mid (pH 6-8) 1.65 4.68 -36.04 2 3 1 29 229.388 8

Activity (Go SEA)

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