UCSF

ZINC35457451

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 35 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) 4.75 14.02 -12.8 0 6 0 69 468.601 5
Lo Low (pH 4.5-6) 4.75 14.43 -46.1 1 6 1 71 469.609 5

Activity (Go SEA)

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