UCSF

ZINC22130765

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 22 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) 4.30 10.17 -38.58 2 2 1 16 336.286 5
Mid Mid (pH 6-8) 4.30 8.98 -42.88 2 2 1 20 336.286 5

Activity (Go SEA)

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