UCSF

ZINC41392091

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 15 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) 2.70 8.65 -7.52 0 2 0 18 200.285 3
Mid Mid (pH 6-8) 2.70 8.92 -28.68 1 2 1 19 201.293 3

Activity (Go SEA)

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