UCSF

ZINC42127607

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 0.57 0.59 -15.41 1 5 0 65 225.292 4
Mid Mid (pH 6-8) 0.57 2.86 -54.49 2 5 1 67 226.3 4

Activity (Go SEA)

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