UCSF

ZINC22168975

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) 0.76 3.79 -101.76 4 4 2 48 239.363 5
Mid Mid (pH 6-8) 0.76 1.41 -46.95 3 4 1 47 238.355 5

Activity (Go SEA)

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