UCSF

ZINC06651772

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 24 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) 1.81 3.87 -10.41 3 7 0 104 322.324 3
Mid Mid (pH 6-8) 2.26 2.08 -48.56 2 7 -1 107 321.316 3

Activity (Go SEA)

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