UCSF

ZINC21785159

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 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) 1.90 5.2 -9.02 0 4 0 30 257.337 4
Mid Mid (pH 6-8) 1.90 5.6 -28.18 1 4 1 32 258.345 4

Activity (Go SEA)

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