UCSF

ZINC29525985

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 24 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) 3.81 7.67 -9.04 1 4 0 37 339.464 5
Lo Low (pH 4.5-6) 3.81 9.59 -45.54 2 4 1 39 340.472 5

Activity (Go SEA)

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