UCSF

ZINC21009442

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 15 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) 3.46 6.94 -4.45 1 2 0 25 224.373 2
Mid Mid (pH 6-8) 3.46 7.35 -26.08 2 2 1 26 225.381 2

Activity (Go SEA)

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