UCSF

ZINC35512852

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 30 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) 2.63 3.12 -21.78 3 8 0 127 449.554 5
Mid Mid (pH 6-8) 2.63 3.1 -54.67 2 8 -1 129 448.546 5

Activity (Go SEA)

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