UCSF

ZINC21704936

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) 5.62 12.81 -22.19 2 5 0 59 398.51 5
Mid Mid (pH 6-8) 5.62 13.22 -41.34 3 5 1 60 399.518 5

Activity (Go SEA)

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