UCSF

ZINC20195125

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 0.87 0.7 -13.97 3 5 0 68 263.341 4
Mid Mid (pH 6-8) 0.87 3.04 -47.7 4 5 1 69 264.349 4

Activity (Go SEA)

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