UCSF

ZINC49122469

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 20 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) 3.58 7.02 -11.43 3 4 0 64 292.452 4
Lo Low (pH 4.5-6) 3.58 7.1 -32.47 4 4 1 65 293.46 4

Activity (Go SEA)

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