UCSF

ZINC21049811

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 3.19 9.96 -115.46 3 2 2 21 282.447 8
Mid Mid (pH 6-8) 3.20 9.06 -33.01 2 2 1 16 281.439 8

Activity (Go SEA)

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