UCSF

ZINC35807865

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) 4.23 7.63 -16.89 1 7 0 73 481.618 11
Lo Low (pH 4.5-6) 4.23 9.73 -61.91 2 7 1 74 482.626 11

Activity (Go SEA)

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