UCSF

ZINC34920916

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) 4.71 10.95 -55.1 0 8 -1 113 493.904 6
Lo Low (pH 4.5-6) 4.71 10.19 -15.61 1 8 0 110 494.912 6

Activity (Go SEA)

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