UCSF

ZINC43426327

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 0.62 2.61 -6.52 0 3 0 30 183.251 2
Mid Mid (pH 6-8) 0.62 4.66 -35.67 1 3 1 31 184.259 2

Activity (Go SEA)

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