UCSF

ZINC19791531

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 28 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) 6.11 11.6 -47.91 2 4 1 55 380.508 9
Mid Mid (pH 6-8) 6.11 12.4 -33.65 1 4 0 58 379.5 9

Activity (Go SEA)

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