UCSF

ZINC37466282

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 20 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) 2.18 3.93 -45.16 3 3 1 34 294.385 4
Mid Mid (pH 6-8) 2.18 6.04 -103.84 4 3 2 35 295.393 4
Mid Mid (pH 6-8) 2.18 5 -122.66 4 3 2 35 295.393 4

Activity (Go SEA)

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