UCSF

ZINC45694622

Substance Information

In ZINC since Heavy atoms Benign functionality
August 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) -0.16 5.44 -52.39 0 6 -1 87 228.224 6
Lo Low (pH 4.5-6) -0.16 3.5 -17.33 1 6 0 84 229.232 6

Activity (Go SEA)

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