UCSF

ZINC35807866

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 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) 4.52 7.89 -16.9 1 7 0 73 481.618 12
Lo Low (pH 4.5-6) 4.52 10 -61.93 2 7 1 74 482.626 12

Activity (Go SEA)

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