UCSF

ZINC36251307

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 28 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) 2.24 6.83 -11.46 1 6 0 66 386.54 6
Lo Low (pH 4.5-6) 2.24 8.76 -47.3 2 6 1 67 387.548 6
Lo Low (pH 4.5-6) 2.24 9.21 -97.98 3 6 2 68 388.556 6

Activity (Go SEA)

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