UCSF

ZINC18181422

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 29 No

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) 2.50 8.69 -11.85 0 6 0 53 397.45 5
Ref Reference (pH 7) 2.50 8.68 -13.49 0 6 0 53 397.45 5
Mid Mid (pH 6-8) 2.51 10.83 -49.17 1 6 1 54 398.458 5

Activity (Go SEA)

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