UCSF

ZINC44381098

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 15 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) 2.44 7.72 -112.85 3 2 2 21 212.381 4
Mid Mid (pH 6-8) 2.44 6.36 -32.81 2 2 1 16 211.373 4
Mid Mid (pH 6-8) 2.44 5.51 -35.67 2 2 1 20 211.373 4

Activity (Go SEA)

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