UCSF

ZINC37979084

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 18 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) 1.90 6.65 -44.97 2 4 1 44 248.35 7
Mid Mid (pH 6-8) 1.90 5.23 -11.33 1 4 0 39 247.342 7

Activity (Go SEA)

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