UCSF

ZINC19313559

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 31 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) 3.05 4.24 -11.96 0 7 0 75 449.458 6
Lo Low (pH 4.5-6) 3.05 4.7 -48.8 1 7 1 77 450.466 6

Activity (Go SEA)

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