UCSF

ZINC67674415

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2011 28 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) 5.28 6.66 -9.98 2 4 0 53 395.886 3
Mid Mid (pH 6-8) 5.28 8.76 -50.42 3 4 1 54 396.894 3

Activity (Go SEA)

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