UCSF

ZINC34979785

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 Yes

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) 3.21 10.3 -13.81 0 4 0 48 276.295 3
Lo Low (pH 4.5-6) 3.21 10.78 -35.82 1 4 1 49 277.303 3

Activity (Go SEA)

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