UCSF

ZINC42451244

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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 4.97 -13.22 1 5 0 77 219.244 4
Hi High (pH 8-9.5) 0.16 3.53 -33.99 1 5 0 81 219.244 4
Mid Mid (pH 6-8) 0.16 5.98 -51.43 0 5 -1 80 218.236 4

Activity (Go SEA)

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