UCSF

ZINC08766519

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 19 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) 2.63 5.44 -8.77 1 3 0 41 250.301 1
Mid Mid (pH 6-8) 2.63 6.29 -29.33 2 3 1 43 251.309 1

Activity (Go SEA)

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