UCSF

ZINC34595335

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 21 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) 0.06 -3.3 -61.32 1 8 -1 119 313.311 4
Lo Low (pH 4.5-6) -0.47 -1.29 -27.09 2 8 0 113 314.319 4

Activity (Go SEA)

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