UCSF

ZINC22221066

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 17 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) 2.18 7.68 -117.49 4 2 2 32 234.387 4
Mid Mid (pH 6-8) 2.18 5.86 -46.78 3 2 1 31 233.379 4

Activity (Go SEA)

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