UCSF

ZINC48998120

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 24 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) 2.14 0.73 -12.16 4 7 0 100 374.224 4
Mid Mid (pH 6-8) 2.14 1.14 -30.41 5 7 1 101 375.232 4

Activity (Go SEA)

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