UCSF

ZINC04625810

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2005 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) 3.11 8.31 -11.66 0 4 0 36 286.718 1
Mid Mid (pH 6-8) 3.11 8.75 -31.92 1 4 1 37 287.726 1

Activity (Go SEA)

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