UCSF

ZINC21129392

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 26 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) 2.52 2.76 -11.99 0 7 0 72 376.482 6
Mid Mid (pH 6-8) 2.52 5.09 -49.76 1 7 1 73 377.49 6

Activity (Go SEA)

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