UCSF

ZINC38409987

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2010 13 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) 3.73 3.83 -38.32 1 2 -1 39 235.477 0
Mid Mid (pH 6-8) 3.73 3.09 -5.27 2 2 0 36 236.485 0

Activity (Go SEA)

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