UCSF

ZINC19791517

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 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) 5.52 11.01 -42.6 2 4 1 55 418.435 4
Mid Mid (pH 6-8) 5.52 11.8 -26.08 1 4 0 58 417.427 4

Activity (Go SEA)

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