UCSF

ZINC35114074

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 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) 0.55 -0.44 -4.43 1 3 0 33 173.256 3
Mid Mid (pH 6-8) 0.55 1.83 -35.83 2 3 1 34 174.264 3

Activity (Go SEA)

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