UCSF

ZINC25489225

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 13 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) 1.23 5 -37.02 0 4 -1 72 195.223 2
Mid Mid (pH 6-8) 1.23 4.62 -9.59 1 4 0 70 196.231 2

Activity (Go SEA)

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