UCSF

ZINC22581314

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 16 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) 0.36 -2.3 -6.64 2 4 0 47 230.352 4
Mid Mid (pH 6-8) 0.36 -0.34 -29.98 3 4 1 48 231.36 4

Activity (Go SEA)

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