UCSF

ZINC37871526

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 13 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) 0.42 4.55 -37.07 2 3 1 40 182.291 4
Mid Mid (pH 6-8) 0.42 5.58 -103.02 3 3 2 45 183.299 4
Mid Mid (pH 6-8) 0.42 2.94 -45.84 2 3 1 44 182.291 4

Activity (Go SEA)

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