UCSF

ZINC43427191

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 14 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) 1.77 -1.03 -2.86 0 5 0 62 196.254 3
Mid Mid (pH 6-8) 1.77 1.22 -37.73 1 5 1 63 197.262 3

Activity (Go SEA)

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