UCSF

ZINC25447098

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 29 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) 4.71 7.54 -44.46 1 6 -1 90 432.522 6
Hi High (pH 8-9.5) 4.78 6.62 -90.77 0 6 -2 97 431.514 6
Mid Mid (pH 6-8) 4.71 7.48 -15.19 2 6 0 88 433.53 6

Activity (Go SEA)

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