UCSF

ZINC44657353

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 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) 1.85 5.28 -31.78 2 3 1 26 229.388 6
Mid Mid (pH 6-8) 1.85 6.32 -100.34 3 3 2 30 230.396 6
Mid Mid (pH 6-8) 1.85 4.35 -39.3 2 3 1 29 229.388 6

Activity (Go SEA)

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