UCSF

ZINC41392181

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) 0.41 6.56 -32.34 1 4 1 39 208.285 3
Mid Mid (pH 6-8) 0.41 6.15 -14.62 0 4 0 38 207.277 3

Activity (Go SEA)

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