UCSF

ZINC26566576

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 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) 0.90 10.58 -68.21 0 5 -1 75 351.357 3
Mid Mid (pH 6-8) 0.90 9.68 -31.23 1 5 0 78 352.365 3
Lo Low (pH 4.5-6) 0.90 10.06 -68.79 2 5 1 79 353.373 3

Activity (Go SEA)

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