UCSF

ZINC26340149

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 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) 4.01 8.48 -17.35 2 6 0 86 399.878 7
Mid Mid (pH 6-8) 4.47 7.44 -48.66 1 6 -1 89 398.87 7

Activity (Go SEA)

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