UCSF

ZINC37871202

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 16 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) 1.42 6.58 -35.55 2 3 1 40 224.372 6
Mid Mid (pH 6-8) 1.42 7.64 -106.59 3 3 2 45 225.38 6

Activity (Go SEA)

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