UCSF

ZINC39567496

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 30 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) 5.30 13.51 -43.78 2 6 1 64 432.658 11
Mid Mid (pH 6-8) 5.30 11.55 -11.85 1 6 0 63 431.65 11

Activity (Go SEA)

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