UCSF

ZINC44824465

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 16 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 3.7 -12.88 0 4 0 47 223.32 2
Mid Mid (pH 6-8) 1.27 5.77 -50.95 1 4 1 49 224.328 2

Activity (Go SEA)

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