UCSF

ZINC60022211

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 26 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) 2.77 8.08 -44.21 4 6 1 72 355.462 7
Mid Mid (pH 6-8) 2.77 5.88 -7.59 3 6 0 71 354.454 7

Activity (Go SEA)

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