UCSF

ZINC37873672

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 17 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) 0.18 2.08 -11.66 2 5 0 82 234.255 6
Mid Mid (pH 6-8) 0.18 3.49 -55.59 3 5 1 87 235.263 6

Activity (Go SEA)

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