UCSF

ZINC31665944

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 23 Yes

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) 3.11 3.6 -49.64 0 6 -1 91 351.791 5
Lo Low (pH 4.5-6) 3.11 3.57 -13.64 1 6 0 88 352.799 5

Activity (Go SEA)

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