UCSF

ZINC18165975

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) 2.98 11.31 -81.04 1 6 0 78 396.487 7
Mid Mid (pH 6-8) 2.98 10.77 -44.5 2 6 1 75 397.495 7
Mid Mid (pH 6-8) 2.40 11.46 -54.81 1 6 1 72 397.495 7

Activity (Go SEA)

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