UCSF

ZINC57825419

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2011 18 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) -1.29 5.57 -40.94 1 7 0 97 251.242 4
Mid Mid (pH 6-8) -1.29 5.74 -46.2 0 7 -1 95 250.234 4

Activity (Go SEA)

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