UCSF

ZINC45647236

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 1.46 4.83 -40.16 3 4 1 49 292.447 4
Mid Mid (pH 6-8) 1.46 6.91 -99.61 4 4 2 50 293.455 4

Activity (Go SEA)

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