UCSF

ZINC33323215

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2009 26 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) 3.55 4.85 -44.93 0 6 -1 84 414.235 3
Lo Low (pH 4.5-6) 3.09 7.5 -9.71 1 6 0 81 415.243 3

Activity (Go SEA)

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