UCSF

ZINC35074989

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 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) 1.65 2.3 -5.09 1 4 0 42 257.374 5
Mid Mid (pH 6-8) 1.65 4.27 -37.19 2 4 1 43 258.382 5

Activity (Go SEA)

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