UCSF

ZINC09271185

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 20 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) 2.32 2.78 -15.57 3 6 0 90 270.292 3
Hi High (pH 8-9.5) 2.32 3.55 -68.41 2 6 -1 93 269.284 3

Activity (Go SEA)

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