UCSF

ZINC35521211

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 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) 4.19 11.52 -63.7 0 8 -1 96 496.543 9
Lo Low (pH 4.5-6) 4.19 10.77 -18.21 1 8 0 93 497.551 9

Activity (Go SEA)

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