UCSF

ZINC44419212

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 40 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) 8.86 21.81 -187.3 1 8 -3 149 566.8 30
Lo Low (pH 4.5-6) 8.86 19.83 -111.55 2 8 -2 147 567.808 30

Activity (Go SEA)

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