UCSF

ZINC20550365

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 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) -1.58 -4.35 -51.63 5 6 1 107 222.224 3
Mid Mid (pH 6-8) -1.58 -4.68 -12.4 4 6 0 105 221.216 3

Activity (Go SEA)

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