UCSF

ZINC20874064

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 32 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) 5.19 13.35 -54.39 2 5 1 54 436.572 12
Mid Mid (pH 6-8) 5.19 11.93 -11.08 1 5 0 49 435.564 12

Activity (Go SEA)

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