UCSF

ZINC42775420

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 No

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) 2.12 7.9 -49.76 1 6 1 77 281.332 8
Mid Mid (pH 6-8) 2.12 5.8 -15.89 0 6 0 75 280.324 8

Activity (Go SEA)

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