UCSF

ZINC37860245

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 21 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) 1.90 6.12 -41.93 3 4 1 46 290.431 7
Mid Mid (pH 6-8) 1.90 5.25 -53.24 3 4 1 49 290.431 7

Activity (Go SEA)

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