UCSF

ZINC38539530

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 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) 1.52 3.83 -45.99 3 2 1 31 223.315 2
Mid Mid (pH 6-8) 1.52 6.13 -121.16 4 2 2 32 224.323 2

Activity (Go SEA)

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