UCSF

ZINC09266159

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 38 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) 5.68 1.6 -12.39 0 6 0 72 522.988 6
Lo Low (pH 4.5-6) 5.68 1.72 -43.49 1 6 1 73 523.996 6

Activity (Go SEA)

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