UCSF

ZINC42454554

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 0.69 7.3 -55.26 1 3 1 41 204.297 6
Mid Mid (pH 6-8) 0.69 5.17 -8.48 0 3 0 40 203.289 6

Activity (Go SEA)

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