UCSF

ZINC10104794

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2007 31 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) 4.87 2.77 -13.17 0 7 0 65 415.497 3
Mid Mid (pH 6-8) 4.87 3.01 -33.73 1 7 1 66 416.505 3

Activity (Go SEA)

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