UCSF

ZINC59825761

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 28 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) 2.01 8.14 -21.16 2 8 0 114 395.452 12
Mid Mid (pH 6-8) 2.01 8.54 -68.41 3 8 1 116 396.46 12

Activity (Go SEA)

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