UCSF

ZINC24001369

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2009 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) 4.67 6.01 -13.3 2 3 0 49 387.604 2
Mid Mid (pH 6-8) 4.67 6.67 -43.92 1 3 -1 52 386.596 2

Activity (Go SEA)

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