UCSF

ZINC36328494

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 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) 3.32 7.04 -119.89 4 2 2 32 228.424 4
Mid Mid (pH 6-8) 3.32 7.01 -29.98 3 2 1 30 227.416 4

Activity (Go SEA)

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