UCSF

ZINC37859245

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 20 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) 2.66 2.41 -11.27 2 5 0 79 377.285 4
Mid Mid (pH 6-8) 3.12 0.24 -41.29 1 5 -1 82 376.277 4

Activity (Go SEA)

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