UCSF

ZINC39115234

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 13 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) -1.20 -1.65 -86.98 5 4 2 57 189.303 5
Hi High (pH 8-9.5) -1.20 -3.01 -37.57 4 4 1 52 188.295 5
Lo Low (pH 4.5-6) -1.20 0.69 -191.23 6 4 3 58 190.311 5

Activity (Go SEA)

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