UCSF

ZINC20200423

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 15 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) 1.36 5.35 -90.01 3 3 2 24 215.385 5
Mid Mid (pH 6-8) 1.36 4.85 -111.78 3 3 2 24 215.385 5
Mid Mid (pH 6-8) 1.36 2.87 -35.92 2 3 1 23 214.377 5

Activity (Go SEA)

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