UCSF

ZINC22563068

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 0.94 6.95 -29.16 3 2 1 30 233.379 3
Mid Mid (pH 6-8) 0.94 7.24 -115.57 4 2 2 32 234.387 3

Activity (Go SEA)

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