UCSF

ZINC14244152

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 24 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) -0.11 4.21 -26.39 4 11 0 162 328.292 5
Hi High (pH 8-9.5) 0.08 2.47 -58.64 3 11 -1 168 327.284 5
Hi High (pH 8-9.5) -0.11 3.73 -45.75 3 11 -1 160 327.284 5

Activity (Go SEA)

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