UCSF

ZINC70515297

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 3.85 6.27 -90.46 4 3 2 41 288.52 11
Mid Mid (pH 6-8) 3.85 6.26 -28.77 3 3 1 40 287.512 11

Activity (Go SEA)

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