UCSF

ZINC25465746

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 25 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) 3.21 7.75 -14.07 0 5 0 54 359.495 2
Mid Mid (pH 6-8) 3.21 8.14 -43.3 1 5 1 55 360.503 2

Activity (Go SEA)

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