UCSF

ZINC34943159

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 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) 3.67 13.1 -80.93 1 7 0 91 450.535 9
Lo Low (pH 4.5-6) 3.67 12.22 -54.01 2 7 1 88 451.543 9

Activity (Go SEA)

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