UCSF

ZINC42454625

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) 2.11 8.56 -36 1 3 1 41 226.303 4
Hi High (pH 8-9.5) 2.11 8.12 -9.93 0 3 0 40 225.295 4

Activity (Go SEA)

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