UCSF

ZINC28875221

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 24 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) 3.03 8.37 -14.6 1 4 0 55 322.408 5
Lo Low (pH 4.5-6) 3.03 8.8 -49.37 2 4 1 56 323.416 5

Activity (Go SEA)

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