UCSF

ZINC22587666

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 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) 3.84 10.15 -47.69 2 7 1 67 421.569 5
Mid Mid (pH 6-8) 3.84 7.69 -14.37 1 7 0 66 420.561 5

Activity (Go SEA)

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