UCSF

ZINC34953096

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 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) 4.69 13.86 -72.33 1 6 0 74 462.59 11
Lo Low (pH 4.5-6) 4.69 12.93 -48.31 2 6 1 71 463.598 11

Activity (Go SEA)

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