UCSF

ZINC23259912

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 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) 2.87 10.5 -42.77 1 4 1 26 351.449 5
Mid Mid (pH 6-8) 2.87 10.44 -44.53 1 4 1 26 351.449 5
Mid Mid (pH 6-8) 2.87 8.12 -9.86 0 4 0 24 350.441 5

Activity (Go SEA)

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