UCSF

ZINC42454673

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 20 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) 2.74 5.72 -53.98 4 5 1 83 316.212 5
Mid Mid (pH 6-8) 2.74 3.71 -16.24 3 5 0 82 315.204 5

Activity (Go SEA)

Rings

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