UCSF

ZINC11915272

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 33 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) 3.85 1.49 -16.03 1 7 0 85 451.519 10
Mid Mid (pH 6-8) 3.26 1.38 -23.65 0 7 0 82 451.519 10

Activity (Go SEA)

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