UCSF

ZINC12231674

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 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) 2.55 2.74 -11.01 0 9 0 89 408.462 6
Mid Mid (pH 6-8) 2.55 2.93 -31.94 1 9 1 90 409.47 6

Activity (Go SEA)

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