UCSF

ZINC42454580

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) 1.24 6.16 -50.25 2 4 1 57 226.344 7
Mid Mid (pH 6-8) 1.24 3.8 -10.64 1 4 0 56 225.336 7

Activity (Go SEA)

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