UCSF

ZINC28048254

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 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) 4.05 11.64 -17.92 0 5 0 51 371.44 6
Mid Mid (pH 6-8) 4.05 12.11 -29.6 1 5 1 53 372.448 6

Activity (Go SEA)

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