UCSF

ZINC43390869

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 14 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) 1.18 0.54 -7.54 3 3 0 55 216.643 3
Mid Mid (pH 6-8) 1.18 1.72 -46.25 4 3 1 60 217.651 3

Activity (Go SEA)

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