UCSF

ZINC25149896

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 32 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) 2.12 8 -56.3 1 8 -1 113 454.507 7
Mid Mid (pH 6-8) 1.66 9.79 -15.83 2 8 0 110 455.515 7

Activity (Go SEA)

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