UCSF

ZINC36456196

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 14 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) -1.95 -2 -50.37 5 5 1 89 195.198 2
Mid Mid (pH 6-8) -1.95 -2.33 -9.37 4 5 0 88 194.19 2

Activity (Go SEA)

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