UCSF

ZINC26170059

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 36 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) 6.04 13.93 -49.71 0 8 -1 101 476.516 8
Lo Low (pH 4.5-6) 6.04 14.02 -16.61 1 8 0 103 477.524 8

Activity (Go SEA)

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