UCSF

ZINC19943625

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 33 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) 4.24 8 -63.63 2 7 1 88 494.703 7
Mid Mid (pH 6-8) 4.24 5.73 -18.79 1 7 0 87 493.695 7

Activity (Go SEA)

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