UCSF

ZINC04486555

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 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) 1.37 -1.59 -57.17 2 5 -1 81 295.746 3
Mid Mid (pH 6-8) 2.20 6.27 -14.1 1 7 0 77 420.412 6

Activity (Go SEA)

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