UCSF

ZINC20227117

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 23 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) 3.81 7.82 -38.8 0 5 -1 58 326.401 5
Mid Mid (pH 6-8) 3.81 8.24 -16.38 1 5 0 56 327.409 5

Activity (Go SEA)

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