UCSF

ZINC19258224

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 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) 0.08 0.39 -38.51 5 5 1 86 221.284 2
Mid Mid (pH 6-8) 0.08 -0.06 -11.8 4 5 0 85 220.276 2

Activity (Go SEA)

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