UCSF

ZINC37873899

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 14 No

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) -1.19 -3.96 -62.13 3 5 1 80 222.286 2
Mid Mid (pH 6-8) -1.19 -5 -15.6 2 5 0 76 221.278 2

Activity (Go SEA)

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