UCSF

ZINC71290140

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2011 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) 2.24 6.88 -83.47 3 3 2 24 245.455 12
Mid Mid (pH 6-8) 2.24 9.34 -162.94 4 3 3 25 246.463 12
Mid Mid (pH 6-8) 2.24 7.04 -77.33 3 3 2 24 245.455 12

Activity (Go SEA)

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