UCSF

ZINC44726729

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) 0.11 4.07 -86.34 4 4 2 50 225.336 3
Mid Mid (pH 6-8) 0.29 1.66 -45.08 3 4 1 56 224.328 3

Activity (Go SEA)

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