UCSF

ZINC20301978

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 5.44 6.8 -34.55 0 3 -1 48 482.999 3
Mid Mid (pH 6-8) 5.44 6.74 -8.46 1 3 0 46 484.007 3

Activity (Go SEA)

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