UCSF

ZINC37996755

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 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) 3.78 9.55 -114.5 3 3 2 30 294.483 10
Mid Mid (pH 6-8) 3.78 8.2 -31.39 2 3 1 26 293.475 10

Activity (Go SEA)

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