UCSF

ZINC48998190

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 18 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) -0.14 -1.76 -11.83 4 7 0 106 250.258 1
Mid Mid (pH 6-8) -0.14 -1.28 -30.08 5 7 1 108 251.266 1

Activity (Go SEA)

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