UCSF

ZINC42454597

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 1.66 8.29 -9.52 0 4 0 53 232.331 5
Mid Mid (pH 6-8) 1.66 8.76 -32.23 1 4 1 54 233.339 5

Activity (Go SEA)

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