UCSF

ZINC25449873

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 34 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) 4.99 11.26 -36.45 2 8 0 110 484.566 6
Hi High (pH 8-9.5) 5.13 9.47 -102.5 0 8 -2 122 482.55 6
Mid Mid (pH 6-8) 5.06 10.37 -58.57 1 8 -1 116 483.558 6

Activity (Go SEA)

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