UCSF

ZINC21796886

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 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) 2.27 3.79 -101.94 0 6 -2 101 316.747 4
Mid Mid (pH 6-8) 2.27 3.69 -53.79 1 6 -1 99 317.755 4

Activity (Go SEA)

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