UCSF

ZINC18254673

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2008 27 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) 3.06 7.34 -19.64 2 9 0 129 368.349 5
Ref Reference (pH 7) 3.06 7.2 -21.5 2 9 0 129 368.349 5
Mid Mid (pH 6-8) 3.52 5.32 -46.58 1 9 -1 132 367.341 5
Mid Mid (pH 6-8) 3.52 5.58 -38.37 1 9 -1 132 367.341 5

Activity (Go SEA)

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