UCSF

ZINC34950409

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 28 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) -0.92 6.84 -110.14 4 9 0 127 391.403 6
Mid Mid (pH 6-8) -0.92 4.83 -67.26 5 9 1 124 392.411 6

Activity (Go SEA)

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