UCSF

ZINC49908532

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 24 No

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) 3.62 9.21 -20.22 0 4 0 52 360.504 7
Lo Low (pH 4.5-6) 3.62 9.66 -36.34 1 4 1 53 361.512 7

Activity (Go SEA)

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