UCSF

ZINC26928445

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 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) 2.21 9.48 -38.28 0 5 -1 61 352.439 4
Mid Mid (pH 6-8) 1.76 9.9 -15.29 1 5 0 58 353.447 4

Activity (Go SEA)

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