UCSF

ZINC47532809

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2010 16 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) -0.66 2.45 -15.09 0 5 0 44 227.308 3
Mid Mid (pH 6-8) -0.66 4.57 -49.18 1 5 1 45 228.316 3

Activity (Go SEA)

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