UCSF

ZINC42253641

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 17 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) -0.83 0.2 -10.86 3 8 0 108 236.235 4
Mid Mid (pH 6-8) -0.37 -1.46 -45.03 2 8 -1 112 235.227 4

Activity (Go SEA)

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