UCSF

ZINC50050730

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 18 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) 0.44 3.45 -13.22 0 6 0 68 251.286 5
Mid Mid (pH 6-8) 0.44 5.29 -41.27 1 6 1 70 252.294 5

Activity (Go SEA)

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