UCSF

ZINC19904984

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 2.54 5.16 -35.41 2 3 1 39 251.375 5
Mid Mid (pH 6-8) 2.54 3.98 -6.44 1 3 0 34 250.367 5

Activity (Go SEA)

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