UCSF

ZINC44114687

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 20 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) 2.67 6.57 -34.72 2 3 1 28 277.432 5
Mid Mid (pH 6-8) 2.67 4.28 -3.09 1 3 0 27 276.424 5
Lo Low (pH 4.5-6) 2.67 6.05 -32.05 2 3 1 28 277.432 5

Activity (Go SEA)

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