UCSF

ZINC37860099

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 19 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) 2.40 6.96 -108.08 4 3 2 41 331.298 9
Mid Mid (pH 6-8) 2.40 4.85 -44.47 3 3 1 40 330.29 9

Activity (Go SEA)

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