UCSF

ZINC70614203

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 16 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) -0.44 6.01 -72.38 4 4 1 72 229.344 4
Mid Mid (pH 6-8) -0.44 5.75 -37.41 3 4 0 71 228.336 4

Activity (Go SEA)

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