UCSF

ZINC44411738

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 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) 2.70 9.4 -43.2 2 4 1 42 271.388 4
Lo Low (pH 4.5-6) 2.70 9.87 -76.85 3 4 2 43 272.396 4

Activity (Go SEA)

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