UCSF

ZINC25172445

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 24 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) 1.27 6.57 -19.02 3 6 0 90 320.352 5
Mid Mid (pH 6-8) 1.27 7.08 -47.21 4 6 1 91 321.36 5

Activity (Go SEA)

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