UCSF

ZINC35280669

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 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) 4.04 11.6 -59.85 0 4 -1 60 296.431 9
Lo Low (pH 4.5-6) 4.04 9.61 -12.64 1 4 0 58 297.439 9

Activity (Go SEA)

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