UCSF

ZINC09128303

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 34 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) 2.31 0.09 -18.8 1 9 0 100 465.485 9
Mid Mid (pH 6-8) 2.31 0.44 -58.65 2 9 1 101 466.493 9

Activity (Go SEA)

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