UCSF

ZINC21704932

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 30 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) 5.71 12.74 -21.85 2 5 0 59 398.51 6
Mid Mid (pH 6-8) 5.71 13.15 -39.87 3 5 1 60 399.518 6

Activity (Go SEA)

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