UCSF

ZINC57918636

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 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) 3.16 4.94 -6.13 0 3 0 16 304.768 6
Mid Mid (pH 6-8) 3.16 7.18 -39.23 1 3 1 17 305.776 6

Activity (Go SEA)

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