UCSF

ZINC35807796

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 35 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) 4.45 9.82 -13.47 1 6 0 64 499.652 13
Lo Low (pH 4.5-6) 4.45 11.85 -57.5 2 6 1 65 500.66 13

Activity (Go SEA)

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