UCSF

ZINC26779789

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 25 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) 5.32 9.02 -95.1 0 5 -2 84 391.235 4
Mid Mid (pH 6-8) 5.32 9.39 -61.81 1 5 -1 82 392.243 4

Activity (Go SEA)

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