UCSF

ZINC21788918

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 1.41 4.35 -72.34 2 6 0 91 332.447 7
Mid Mid (pH 6-8) 1.41 3.94 -83.55 1 6 -1 93 331.439 7

Activity (Go SEA)

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