UCSF

ZINC50406222

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2010 18 No

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) 3.52 8.41 -46.47 0 4 -1 44 261.374 5
Mid Mid (pH 6-8) 2.79 8.47 -10.51 1 4 0 47 262.382 5

Activity (Go SEA)

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