UCSF

ZINC38109433

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2009 19 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) 1.46 2.14 -8.22 0 5 0 54 301.799 3
Mid Mid (pH 6-8) 1.46 4.33 -44.68 1 5 1 55 302.807 3

Activity (Go SEA)

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