UCSF

ZINC28384851

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2009 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) 3.61 7.52 -12.49 1 3 0 47 256.301 5
Mid Mid (pH 6-8) 3.61 8.55 -55.74 0 3 -1 49 255.293 5

Activity (Go SEA)

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