UCSF

ZINC21802965

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 4.82 9.37 -32.69 2 2 1 16 340.329 5
Mid Mid (pH 6-8) 4.82 8.64 -35.16 2 2 1 20 340.329 5

Activity (Go SEA)

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