UCSF

ZINC25525392

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 23 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) 2.98 5.49 -41.61 0 6 -1 79 349.823 3
Mid Mid (pH 6-8) 2.98 5.42 -13.3 1 6 0 77 350.831 3

Activity (Go SEA)

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