UCSF

ZINC04861693

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 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) 4.63 7.68 -50.75 1 5 -1 78 392.504 8
Mid Mid (pH 6-8) 4.17 8.54 -22.51 2 5 0 75 393.512 8

Activity (Go SEA)

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