UCSF

ZINC09241945

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 34 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) 5.65 0.81 -20.37 0 5 0 63 463.562 6
Lo Low (pH 4.5-6) 5.65 0.92 -57.95 1 5 1 64 464.57 6

Activity (Go SEA)

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