UCSF

ZINC34920318

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 30 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) 5.19 11.23 -53.66 0 5 -1 73 451.936 4
Lo Low (pH 4.5-6) 5.19 10.47 -11.46 1 5 0 71 452.944 4

Activity (Go SEA)

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