UCSF

ZINC28360150

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 37 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 15.76 -17.14 0 6 0 61 496.607 13
Lo Low (pH 4.5-6) 4.52 16.14 -61.13 1 6 1 62 497.615 13

Activity (Go SEA)

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