UCSF

ZINC33322256

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) 3.33 5.22 -44.57 0 6 -1 84 414.235 4
Lo Low (pH 4.5-6) 2.88 7.88 -9.63 1 6 0 81 415.243 4

Activity (Go SEA)

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