UCSF

ZINC43464037

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 0.78 2.97 -8.64 1 5 0 58 195.222 2
Mid Mid (pH 6-8) 0.78 3 -9.93 1 5 0 58 195.222 2

Activity (Go SEA)

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