UCSF

ZINC39121646

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 15 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) 2.26 0.82 -9.86 3 4 0 72 228.317 3
Mid Mid (pH 6-8) 2.26 0.95 -40.9 2 4 -1 74 227.309 3

Activity (Go SEA)

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