UCSF

ZINC35893800

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 26 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) 2.86 9.08 -28.6 2 5 1 50 351.474 3
Mid Mid (pH 6-8) 2.86 8.78 -9.59 1 5 0 48 350.466 3

Activity (Go SEA)

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