UCSF

ZINC35512274

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 31 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) 4.39 13.2 -12.15 0 5 0 40 434.971 3
Mid Mid (pH 6-8) 4.39 13.67 -42.08 1 5 1 41 435.979 3

Activity (Go SEA)

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