UCSF

ZINC21814774

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 No

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) 3.58 3.28 -7.5 1 4 0 63 271.345 2
Mid Mid (pH 6-8) 3.94 5.05 -12.03 2 4 0 65 271.345 2

Activity (Go SEA)

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