UCSF

ZINC09193177

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 33 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) 5.51 2.41 -12.5 0 6 0 72 440.499 6
Lo Low (pH 4.5-6) 5.51 2.62 -33.97 1 6 1 73 441.507 6

Activity (Go SEA)

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