UCSF

ZINC35807785

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 37 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) 3.67 10.69 -15.87 0 7 0 64 527.662 10
Mid Mid (pH 6-8) 3.67 12.73 -70.25 1 7 1 65 528.67 10

Activity (Go SEA)

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