UCSF

ZINC35647966

Substance Information

In ZINC since Heavy atoms Benign functionality
October 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) 5.41 10.06 -14.37 1 4 0 51 352.459 5
Mid Mid (pH 6-8) 5.41 9.36 -44.72 0 4 -1 53 351.451 5

Activity (Go SEA)

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