UCSF

ZINC34568123

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 13 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) -0.01 5.12 -166.11 5 3 3 37 190.355 8
Mid Mid (pH 6-8) -0.01 2.79 -82.52 4 3 2 35 189.347 8
Mid Mid (pH 6-8) -0.01 2.62 -95.76 4 3 2 35 189.347 8

Activity (Go SEA)

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