UCSF

ZINC35687760

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 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) 0.70 4.87 -37.54 2 4 1 46 236.32 3
Mid Mid (pH 6-8) 0.70 4.47 -9.38 1 4 0 45 235.312 3

Activity (Go SEA)

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