UCSF

ZINC34931745

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 37 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) 5.42 12.7 -54.38 0 8 -1 105 520.631 12
Lo Low (pH 4.5-6) 5.42 11.94 -13.83 1 8 0 102 521.639 12

Activity (Go SEA)

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