UCSF

ZINC43437335

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 2.81 5.62 -24.06 2 5 0 79 251.33 5
Mid Mid (pH 6-8) 2.81 5.67 -37.84 2 5 0 79 251.33 5

Activity (Go SEA)

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