UCSF

ZINC12231391

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 29 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) 3.83 2.56 -9.43 0 8 0 80 433.299 3
Mid Mid (pH 6-8) 3.83 2.72 -30.69 1 8 1 81 434.307 3

Activity (Go SEA)

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