UCSF

ZINC04217364

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 14 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) -0.31 -3.55 -18.8 3 7 0 115 236.278 3
Mid Mid (pH 6-8) -0.31 -3.06 -51.14 2 7 -1 113 235.27 3

Activity (Go SEA)

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