UCSF

ZINC21806346

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 4.96 9.31 -37.14 2 2 1 20 342.345 8
Mid Mid (pH 6-8) 4.96 10.32 -37.4 2 2 1 16 342.345 8
Mid Mid (pH 6-8) 4.96 10.44 -121.82 3 2 2 21 343.353 8

Activity (Go SEA)

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