UCSF

ZINC48322968

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 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) 0.48 1.45 -14.22 1 5 0 59 202.254 6
Mid Mid (pH 6-8) 0.48 3.63 -44.19 2 5 1 60 203.262 6

Activity (Go SEA)

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