UCSF

ZINC34829952

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 35 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) 5.52 14.62 -48.96 2 6 1 57 495.713 4
Mid Mid (pH 6-8) 5.52 12.93 -14.66 1 6 0 56 494.705 4

Activity (Go SEA)

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