UCSF

ZINC34674351

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2009 18 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) 2.44 8.86 -47.91 1 3 1 37 263.386 5
Mid Mid (pH 6-8) 2.44 6.77 -7.41 0 3 0 36 262.378 5

Activity (Go SEA)

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